1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one

C17H17ClN4O2 — CID 158418655

IUPAC1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccc2c(N[C@H](C)CO)nc(=O)n(-c3ccccc3Cl)c2n1
InChIInChI=1S/C17H17ClN4O2/c1-10-7-8-12-15(19-11(2)9-23)21-17(24)22(16(12)20-10)14-6-4-3-5-13(14)18/h3-8,11,23H,9H2,1-2H3,(H,19,21,24)/t11-/m1/s1
InChIKeyHAFIFKPPAYPJJF-LLVKDONJSA-N
MW344.80 g/mol
LogP2.54
Rot. Bonds4

About 1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one

1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one (PubChem CID 158418655) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one
PubChem CID158418655
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccc2c(N[C@H](C)CO)nc(=O)n(-c3ccccc3Cl)c2n1
InChIInChI=1S/C17H17ClN4O2/c1-10-7-8-12-15(19-11(2)9-23)21-17(24)22(16(12)20-10)14-6-4-3-5-13(14)18/h3-8,11,23H,9H2,1-2H3,(H,19,21,24)/t11-/m1/s1
InChIKeyHAFIFKPPAYPJJF-LLVKDONJSA-N
XLogP2.54
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one (CID 158418655) is 1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one is Cc1ccc2c(N[C@H](C)CO)nc(=O)n(-c3ccccc3Cl)c2n1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one?
The InChIKey is HAFIFKPPAYPJJF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-10-7-8-12-15(19-11(2)9-23)21-17(24)22(16(12)20-10)14-6-4-3-5-13(14)18/h3-8,11,23H,9H2,1-2H3,(H,19,21,24)/t11-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one?
1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one has a molecular weight of 344.80 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 158418655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).