6-acetyl-2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-methyl-8-(1-propan-2-ylcyclobutyl)pyrido[2,3-d]pyrimidin-7-one

C28H38N6O2 — CID 154967234

IUPAC6-acetyl-2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-methyl-8-(1-propan-2-ylcyclobutyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N(C)CCN(C)C)cc3)nc2n(C2(C(C)C)CCC2)c1=O
InChIInChI=1S/C28H38N6O2/c1-18(2)28(13-8-14-28)34-25-23(19(3)24(20(4)35)26(34)36)17-29-27(31-25)30-21-9-11-22(12-10-21)33(7)16-15-32(5)6/h9-12,17-18H,8,13-16H2,1-7H3,(H,29,30,31)
InChIKeyRYGZTPCYZOXDFX-UHFFFAOYSA-N
MW490.65 g/mol
LogP4.58
Rot. Bonds9

About 6-acetyl-2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-methyl-8-(1-propan-2-ylcyclobutyl)pyrido[2,3-d]pyrimidin-7-one

6-acetyl-2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-methyl-8-(1-propan-2-ylcyclobutyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 154967234) has the molecular formula C28H38N6O2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 6-acetyl-2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-methyl-8-(1-propan-2-ylcyclobutyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-methyl-8-(1-propan-2-ylcyclobutyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID154967234
Molecular FormulaC28H38N6O2
Molecular Weight490.65 g/mol
Exact Mass490.31
IUPAC Name6-acetyl-2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-methyl-8-(1-propan-2-ylcyclobutyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc(N(C)CCN(C)C)cc3)nc2n(C2(C(C)C)CCC2)c1=O
InChIInChI=1S/C28H38N6O2/c1-18(2)28(13-8-14-28)34-25-23(19(3)24(20(4)35)26(34)36)17-29-27(31-25)30-21-9-11-22(12-10-21)33(7)16-15-32(5)6/h9-12,17-18H,8,13-16H2,1-7H3,(H,29,30,31)
InChIKeyRYGZTPCYZOXDFX-UHFFFAOYSA-N
XLogP4.58
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidine-5-carboxylic acid
CID 162704900
4-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]benzoic acid
CID 58608839
3-[2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidin-5-yl]-N-hydroxyprop-2-ynamide
CID 162704818
6-anilino-2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-ethynyl-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 171546808
N-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-N-methylacetamide
CID 22329907
6-acetyl-2-[[5-[bis(2-methoxyethyl)amino]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330295
2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethoxy]-N-hydroxypyrimidine-5-carboxamide
CID 162704897
2-(3-fluoro-4-pyrrolidin-1-ylanilino)-N,N-dimethyl-7-oxo-8-(1-propan-2-ylcyclobutyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 154967188
6-acetyl-2-[[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]amino]-8-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidin-7-one
CID 167163110
2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-8-phenyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-one
CID 171547367
6-acetyl-2-[[5-(2-aminoethylamino)-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 22329976
6-[[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide
CID 162704853

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-methyl-8-(1-propan-2-ylcyclobutyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-methyl-8-(1-propan-2-ylcyclobutyl)pyrido[2,3-d]pyrimidin-7-one (CID 154967234) is 6-acetyl-2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-methyl-8-(1-propan-2-ylcyclobutyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-methyl-8-(1-propan-2-ylcyclobutyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-methyl-8-(1-propan-2-ylcyclobutyl)pyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc(N(C)CCN(C)C)cc3)nc2n(C2(C(C)C)CCC2)c1=O.
What is the InChIKey of 6-acetyl-2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-methyl-8-(1-propan-2-ylcyclobutyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RYGZTPCYZOXDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O2/c1-18(2)28(13-8-14-28)34-25-23(19(3)24(20(4)35)26(34)36)17-29-27(31-25)30-21-9-11-22(12-10-21)33(7)16-15-32(5)6/h9-12,17-18H,8,13-16H2,1-7H3,(H,29,30,31).
What are the key properties of 6-acetyl-2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-methyl-8-(1-propan-2-ylcyclobutyl)pyrido[2,3-d]pyrimidin-7-one?
6-acetyl-2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-methyl-8-(1-propan-2-ylcyclobutyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 490.65 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[4-[2-(dimethylamino)ethyl-methylamino]anilino]-5-methyl-8-(1-propan-2-ylcyclobutyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 154967234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).