C11H15N4O2Cl | Cheminformatics

methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate

Formula:C11H15N4O2Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate is a drug-like molecule.

MolNamemethyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate
MolecularFormulaC11H15N4O2Cl
SmilesCOC(C(CC1)CCN1c1cc(Cl)nc(N)n1)=O
InChIInChI=1S/C11H15ClN4O2/c1-18-10(17)7-2-4-16(5-3-7)9-6-8(12)14-11(13)15-9/h6-7H,2-5H2,1H3,(H2,13,14,15)
InChIKATFYGPORNCPDNP-UHFFFAOYSA-N
TotalMolweight270.719
Molweight270.719
MonoisotopicMass270.088353
CLogP1.0973
CLogS-2.738
H Acceptors6
H Donors1
TotalSurfaceArea199.07
Relative PSA0.32049
PolarSurfaceArea81.34
Druglikeness1.9386
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.61111
Fragments1
Non HAtoms18
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms7
Symmetricatoms2
Aromatic Nitrogens2
BasicNitrogens2
StereoCon

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