2-chloro-N-(2-cyclohexylethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine

Formula:C14H19N4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-chloro-N-(2-cyclohexylethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine is a drug-like molecule.

MolName2-chloro-N-(2-cyclohexylethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
MolecularFormulaC14H19N4Cl
SmilesClc1nc(NCCC2CCCCC2)c2[nH]ccc2n1
InChIInChI=1S/C14H19ClN4/c15-14-18-11-7-9-16-12(11)13(19-14)17-8-6-10-4-2-1-3-5-10/h7,9-10,16H,1-6,8H2,(H,17,18,19)
InChIKARLXCRCXELWQPE-UHFFFAOYSA-N
TotalMolweight278.786
Molweight278.786
MonoisotopicMass278.129823
CLogP3.3096
CLogS-4.018
H Acceptors4
H Donors2
TotalSurfaceArea217.15
Relative PSA0.21824
PolarSurfaceArea53.6
Druglikeness-4.085
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.57895
Fragments1
Non HAtoms19
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms9
Sp3Atoms8
Symmetricatoms2
Aromatic Nitrogens3
StereoCon

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