2-(3-hydroxypropyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one

C11H13N3O2 — CID 154196995

IUPAC2-(3-hydroxypropyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(CCCO)nc2[nH]c(=O)ccc12
InChIInChI=1S/C11H13N3O2/c1-7-8-4-5-10(16)14-11(8)13-9(12-7)3-2-6-15/h4-5,15H,2-3,6H2,1H3,(H,12,13,14,16)
InChIKeyNERBIOPKKZAGCW-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.55
Rot. Bonds3

About 2-(3-hydroxypropyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one

2-(3-hydroxypropyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 154196995) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID154196995
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(3-hydroxypropyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(CCCO)nc2[nH]c(=O)ccc12
InChIInChI=1S/C11H13N3O2/c1-7-8-4-5-10(16)14-11(8)13-9(12-7)3-2-6-15/h4-5,15H,2-3,6H2,1H3,(H,12,13,14,16)
InChIKeyNERBIOPKKZAGCW-UHFFFAOYSA-N
XLogP0.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(3-hydroxypropyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 154196995) is 2-(3-hydroxypropyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(3-hydroxypropyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one is Cc1nc(CCCO)nc2[nH]c(=O)ccc12.
What is the InChIKey of 2-(3-hydroxypropyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NERBIOPKKZAGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-8-4-5-10(16)14-11(8)13-9(12-7)3-2-6-15/h4-5,15H,2-3,6H2,1H3,(H,12,13,14,16).
What are the key properties of 2-(3-hydroxypropyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one?
2-(3-hydroxypropyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 219.24 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 154196995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).