2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one

C23H22N4O — CID 11537968

IUPAC2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2cc(C)cc(C)c2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C23H22N4O/c1-4-27-21-18(14-24-23(26-21)25-19-8-6-5-7-9-19)13-20(22(27)28)17-11-15(2)10-16(3)12-17/h5-14H,4H2,1-3H3,(H,24,25,26)
InChIKeyANZYDUHZJJDQHA-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.84
Rot. Bonds4

About 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one

2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 11537968) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID11537968
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2cc(C)cc(C)c2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C23H22N4O/c1-4-27-21-18(14-24-23(26-21)25-19-8-6-5-7-9-19)13-20(22(27)28)17-11-15(2)10-16(3)12-17/h5-14H,4H2,1-3H3,(H,24,25,26)
InChIKeyANZYDUHZJJDQHA-UHFFFAOYSA-N
XLogP4.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 70934439
6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 5327890
8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)-6-phenylpyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 66760579
8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 70934528
8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1H-pyrazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 70934521
6-(4-cyclopenta-1,3-dien-1-ylphenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934165
6-(3,5-dimethoxyphenyl)-2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]amino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 22220189
2-anilino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354763
2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 18374901
2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one
CID 5330228
6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89473911
8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one
CID 89474107

Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one (CID 11537968) is 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2cc(C)cc(C)c2)cc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ANZYDUHZJJDQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-4-27-21-18(14-24-23(26-21)25-19-8-6-5-7-9-19)13-20(22(27)28)17-11-15(2)10-16(3)12-17/h5-14H,4H2,1-3H3,(H,24,25,26).
What are the key properties of 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 370.46 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-(3,5-dimethylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 11537968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).