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

C19H21N5O3 — CID 59259021

IUPAC2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(CC3CCCO3)c2=O)cn1
InChIInChI=1S/C19H21N5O3/c1-11-14-8-15(12-5-6-16(26-2)21-9-12)18(25)24(10-13-4-3-7-27-13)17(14)23-19(20)22-11/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H2,20,22,23)
InChIKeyTWHSKVDBHXNYDV-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.93
Rot. Bonds4

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

2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59259021) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59259021
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(CC3CCCO3)c2=O)cn1
InChIInChI=1S/C19H21N5O3/c1-11-14-8-15(12-5-6-16(26-2)21-9-12)18(25)24(10-13-4-3-7-27-13)17(14)23-19(20)22-11/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H2,20,22,23)
InChIKeyTWHSKVDBHXNYDV-UHFFFAOYSA-N
XLogP1.93
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 59259021) is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3c(C)nc(N)nc3n(CC3CCCO3)c2=O)cn1.
What is the InChIKey of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is TWHSKVDBHXNYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11-14-8-15(12-5-6-16(26-2)21-9-12)18(25)24(10-13-4-3-7-27-13)17(14)23-19(20)22-11/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H2,20,22,23).
What are the key properties of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 367.41 g/mol, XLogP of 1.93, 4 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-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59259021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).