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

C18H19N5O2 — CID 59258852

IUPAC2-amino-8-cyclobutyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC3)c2=O)cn1
InChIInChI=1S/C18H19N5O2/c1-10-13-8-14(11-6-7-15(25-2)20-9-11)17(24)23(12-4-3-5-12)16(13)22-18(19)21-10/h6-9,12H,3-5H2,1-2H3,(H2,19,21,22)
InChIKeyMQXZSHNTUSGCLH-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.48
Rot. Bonds3

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

2-amino-8-cyclobutyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258852) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-amino-8-cyclobutyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-cyclobutyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59258852
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-amino-8-cyclobutyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC3)c2=O)cn1
InChIInChI=1S/C18H19N5O2/c1-10-13-8-14(11-6-7-15(25-2)20-9-11)17(24)23(12-4-3-5-12)16(13)22-18(19)21-10/h6-9,12H,3-5H2,1-2H3,(H2,19,21,22)
InChIKeyMQXZSHNTUSGCLH-UHFFFAOYSA-N
XLogP2.48
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
8-ethyl-2-(4-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330211
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
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
Pyrimidine-4-carboxamide, 73
CID 44520950
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 74
CID 44520963
Pyrimidine-4-carboxamide, 78
CID 44520965
2-Amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-8-[4-(hydroxymethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 71602515

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-cyclobutyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-cyclobutyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 59258852) is 2-amino-8-cyclobutyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-cyclobutyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-cyclobutyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC3)c2=O)cn1.
What is the InChIKey of 2-amino-8-cyclobutyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MQXZSHNTUSGCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-10-13-8-14(11-6-7-15(25-2)20-9-11)17(24)23(12-4-3-5-12)16(13)22-18(19)21-10/h6-9,12H,3-5H2,1-2H3,(H2,19,21,22).
What are the key properties of 2-amino-8-cyclobutyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-cyclobutyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 337.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-cyclobutyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).