2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one

C18H19N5O3 — CID 59259010

IUPAC2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCOC3)c2=O)cn1
InChIInChI=1S/C18H19N5O3/c1-10-13-7-14(11-3-4-15(25-2)20-8-11)17(24)23(12-5-6-26-9-12)16(13)22-18(19)21-10/h3-4,7-8,12H,5-6,9H2,1-2H3,(H2,19,21,22)
InChIKeySSOLRNZHGLSQCN-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.71
Rot. Bonds3

About 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one

2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59259010) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59259010
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCOC3)c2=O)cn1
InChIInChI=1S/C18H19N5O3/c1-10-13-7-14(11-3-4-15(25-2)20-8-11)17(24)23(12-5-6-26-9-12)16(13)22-18(19)21-10/h3-4,7-8,12H,5-6,9H2,1-2H3,(H2,19,21,22)
InChIKeySSOLRNZHGLSQCN-UHFFFAOYSA-N
XLogP1.71
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 59259010) is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCOC3)c2=O)cn1.
What is the InChIKey of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SSOLRNZHGLSQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-10-13-7-14(11-3-4-15(25-2)20-8-11)17(24)23(12-5-6-26-9-12)16(13)22-18(19)21-10/h3-4,7-8,12H,5-6,9H2,1-2H3,(H2,19,21,22).
What are the key properties of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 353.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59259010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).