5-[(3,5-dichloroanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Formula:C13H12N6Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(3,5-dichloroanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is a drug-like molecule.

MolName	5-[(3,5-dichloroanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
MolecularFormula	C13H12N6Cl2
Smiles	Nc1c(c(CNc2cc(Cl)cc(Cl)c2)c[nH]2)c2nc(N)n1
InChI	InChI=1S/C13H12Cl2N6/c14-7-1-8(15)3-9(2-7)18-4-6-5-19-12-10(6)11(16)20-13(17)21-12/h1-3,5,18H,4H2,(H5,16,17,19,20,21)
InChIK	LMZWYDVHQMBMSH-UHFFFAOYSA-N
TotalMolweight	323.186
Molweight	323.186
MonoisotopicMass	322.050048
CLogP	2.0621
CLogS	-5.785
H Acceptors	6
H Donors	4
TotalSurfaceArea	227.81
Relative PSA	0.34208
PolarSurfaceArea	105.64
Druglikeness	1.0777
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Symmetricatoms	3
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	3
BasicNitrogens	2
StereoCon

Click to Load Molecule:

1 - 5-[(3,5-dichloroanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | 2 - 5-[(3,5-dichloroanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Request More Details | 5-[(3,5-dichloroanilino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments