5-amino-2-(butan-2-ylamino)-8-cyclobutyl-6-methylpyrido[2,3-d]pyrimidin-7-one

C16H23N5O — CID 143885408

IUPAC5-amino-2-(butan-2-ylamino)-8-cyclobutyl-6-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCC(C)Nc1ncc2c(N)c(C)c(=O)n(C3CCC3)c2n1
InChIInChI=1S/C16H23N5O/c1-4-9(2)19-16-18-8-12-13(17)10(3)15(22)21(14(12)20-16)11-6-5-7-11/h8-9,11H,4-7,17H2,1-3H3,(H,18,19,20)
InChIKeyLJSGFKSSZMNFHO-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.62
Rot. Bonds4

About 5-amino-2-(butan-2-ylamino)-8-cyclobutyl-6-methylpyrido[2,3-d]pyrimidin-7-one

5-amino-2-(butan-2-ylamino)-8-cyclobutyl-6-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 143885408) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-amino-2-(butan-2-ylamino)-8-cyclobutyl-6-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-2-(butan-2-ylamino)-8-cyclobutyl-6-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID143885408
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name5-amino-2-(butan-2-ylamino)-8-cyclobutyl-6-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCC(C)Nc1ncc2c(N)c(C)c(=O)n(C3CCC3)c2n1
InChIInChI=1S/C16H23N5O/c1-4-9(2)19-16-18-8-12-13(17)10(3)15(22)21(14(12)20-16)11-6-5-7-11/h8-9,11H,4-7,17H2,1-3H3,(H,18,19,20)
InChIKeyLJSGFKSSZMNFHO-UHFFFAOYSA-N
XLogP2.62
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 70952939
5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 143885421
5-amino-8-(cyclobutadienyl)-2-[[4-(2-hydroxypropan-2-yl)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyrimidin-7-one
CID 68995117
4-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]benzoic acid
CID 58608839
8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458571
ethyl 8-cyclopentyl-5-methyl-2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 11467300
acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 143885415
2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 67240606
6-bromo-8-cyclopentyl-5-methyl-2-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 10166653
6-acetyl-8-cyclobutyl-2-[[(3S,4S)-3-hydroxyoxan-4-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 155210544
6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 10227878
tert-butyl 4-[6-[(8-cyclopentyl-6-(124I)iodo-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 45113527

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(butan-2-ylamino)-8-cyclobutyl-6-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 5-amino-2-(butan-2-ylamino)-8-cyclobutyl-6-methylpyrido[2,3-d]pyrimidin-7-one (CID 143885408) is 5-amino-2-(butan-2-ylamino)-8-cyclobutyl-6-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-amino-2-(butan-2-ylamino)-8-cyclobutyl-6-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 5-amino-2-(butan-2-ylamino)-8-cyclobutyl-6-methylpyrido[2,3-d]pyrimidin-7-one is CCC(C)Nc1ncc2c(N)c(C)c(=O)n(C3CCC3)c2n1.
What is the InChIKey of 5-amino-2-(butan-2-ylamino)-8-cyclobutyl-6-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LJSGFKSSZMNFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-9(2)19-16-18-8-12-13(17)10(3)15(22)21(14(12)20-16)11-6-5-7-11/h8-9,11H,4-7,17H2,1-3H3,(H,18,19,20).
What are the key properties of 5-amino-2-(butan-2-ylamino)-8-cyclobutyl-6-methylpyrido[2,3-d]pyrimidin-7-one?
5-amino-2-(butan-2-ylamino)-8-cyclobutyl-6-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 301.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(butan-2-ylamino)-8-cyclobutyl-6-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 143885408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).