2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

C20H23N5O3 — CID 25032644

IUPAC2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(O)CC3)c2=O)cn1
InChIInChI=1S/C20H23N5O3/c1-11-15-9-16(12-3-8-17(28-2)22-10-12)19(27)25(18(15)24-20(21)23-11)13-4-6-14(26)7-5-13/h3,8-10,13-14,26H,4-7H2,1-2H3,(H2,21,23,24)
InChIKeyFETTYQBQNFSCDZ-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.23
Rot. Bonds3

About 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 25032644) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID25032644
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(O)CC3)c2=O)cn1
InChIInChI=1S/C20H23N5O3/c1-11-15-9-16(12-3-8-17(28-2)22-10-12)19(27)25(18(15)24-20(21)23-11)13-4-6-14(26)7-5-13/h3,8-10,13-14,26H,4-7H2,1-2H3,(H2,21,23,24)
InChIKeyFETTYQBQNFSCDZ-UHFFFAOYSA-N
XLogP2.23
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

2-amino-8-(4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxypyridin-3-yl)-4-methylpyrido(2,3-d)pyrimidin-7(8H)-one
CID 25033539
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
8-ethyl-2-(4-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330211
2-Amino-6-(5-Fluoro-6-Methoxypyridin-3-Yl)-4-Methyl-8-(Pyrrolidin-1-Yl)pyrido[2,3-D]pyrimidin-7(8h)-One
CID 59259014
2-[4-[2-Amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
CID 25032306
2-[4-[2-Amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetic acid
CID 71571355
2-Amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 71602515
2-[4-[2-Amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
CID 25032388
2-Amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpteridin-7-one
CID 46182743
2-Amino-8-isopropyl-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8h)-one
CID 52949940
2-Amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one
CID 59258821

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 25032644) is 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(O)CC3)c2=O)cn1.
What is the InChIKey of 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FETTYQBQNFSCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-11-15-9-16(12-3-8-17(28-2)22-10-12)19(27)25(18(15)24-20(21)23-11)13-4-6-14(26)7-5-13/h3,8-10,13-14,26H,4-7H2,1-2H3,(H2,21,23,24).
What are the key properties of 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 381.44 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(4-hydroxycyclohexyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 25032644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).