2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one

C13H14ClN3O — CID 136778628

IUPAC2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C13H14ClN3O/c1-3-10-7-12(18)17-13(15-10)16-11-6-9(14)5-4-8(11)2/h4-7H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyXVIRVMPWNDEEGQ-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.04
Rot. Bonds3

About 2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one

2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one (PubChem CID 136778628) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one
PubChem CID136778628
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C13H14ClN3O/c1-3-10-7-12(18)17-13(15-10)16-11-6-9(14)5-4-8(11)2/h4-7H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyXVIRVMPWNDEEGQ-UHFFFAOYSA-N
XLogP3.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one
CID 135459608
2-(4-chloro-2-methylanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136779023
4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136778998
2-(4-chloro-2-methylanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779020
6-chloro-N-(5-chloro-2-methylphenyl)-1H-benzimidazol-2-amine
CID 82562664
2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one
CID 135763942
2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one
CID 136779303
4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
CID 135763936
4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
CID 136779267
4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one
CID 136779086
4-butyl-2-(2,5-difluoroanilino)-1H-pyrimidin-6-one
CID 136779304
2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741575

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one (CID 136778628) is 2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(Nc2cc(Cl)ccc2C)n1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is XVIRVMPWNDEEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-3-10-7-12(18)17-13(15-10)16-11-6-9(14)5-4-8(11)2/h4-7H,3H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one?
2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 263.73 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136778628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).