2-anilino-8-ethylpyrido[2,3-d]pyrimidin-7-one

C15H14N4O — CID 5330199

IUPAC2-anilino-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C15H14N4O/c1-2-19-13(20)9-8-11-10-16-15(18-14(11)19)17-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,16,17,18)
InChIKeyWSZLNFZLFQJSAJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.56
Rot. Bonds3

About 2-anilino-8-ethylpyrido[2,3-d]pyrimidin-7-one

2-anilino-8-ethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330199) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-anilino-8-ethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-ethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330199
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-anilino-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C15H14N4O/c1-2-19-13(20)9-8-11-10-16-15(18-14(11)19)17-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,16,17,18)
InChIKeyWSZLNFZLFQJSAJ-UHFFFAOYSA-N
XLogP2.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
Narazaciclib
CID 56649281
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34
CID 5330220
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225
2-(phenylamino)-8-propyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330226
8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330227
8-butyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330228
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 43
CID 5330229

Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-ethylpyrido[2,3-d]pyrimidin-7-one (CID 5330199) is 2-anilino-8-ethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-ethylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WSZLNFZLFQJSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-19-13(20)9-8-11-10-16-15(18-14(11)19)17-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,16,17,18).
What are the key properties of 2-anilino-8-ethylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-ethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 266.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-ethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).