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

C20H23N5O3 — CID 59258948

IUPAC2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(CC3CCOCC3)c2=O)cn1
InChIInChI=1S/C20H23N5O3/c1-12-15-9-16(14-3-4-17(27-2)22-10-14)19(26)25(18(15)24-20(21)23-12)11-13-5-7-28-8-6-13/h3-4,9-10,13H,5-8,11H2,1-2H3,(H2,21,23,24)
InChIKeyYJIXSCDOMBFTQX-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.18
Rot. Bonds4

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

2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258948) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59258948
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(CC3CCOCC3)c2=O)cn1
InChIInChI=1S/C20H23N5O3/c1-12-15-9-16(14-3-4-17(27-2)22-10-14)19(26)25(18(15)24-20(21)23-12)11-13-5-7-28-8-6-13/h3-4,9-10,13H,5-8,11H2,1-2H3,(H2,21,23,24)
InChIKeyYJIXSCDOMBFTQX-UHFFFAOYSA-N
XLogP2.18
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.18
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-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 59258948) is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3c(C)nc(N)nc3n(CC3CCOCC3)c2=O)cn1.
What is the InChIKey of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YJIXSCDOMBFTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12-15-9-16(14-3-4-17(27-2)22-10-14)19(26)25(18(15)24-20(21)23-12)11-13-5-7-28-8-6-13/h3-4,9-10,13H,5-8,11H2,1-2H3,(H2,21,23,24).
What are the key properties of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 381.44 g/mol, XLogP of 2.18, 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-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).