4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one

C15H18ClN3O2 — CID 136778998

IUPAC4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
SMILESCCCCc1cc(=O)[nH]c(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C15H18ClN3O2/c1-3-4-5-11-9-14(20)19-15(17-11)18-12-8-10(16)6-7-13(12)21-2/h6-9H,3-5H2,1-2H3,(H2,17,18,19,20)
InChIKeyDNTTWUQWCRRYJV-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.52
Rot. Bonds6

About 4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one

4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one (PubChem CID 136778998) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
PubChem CID136778998
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
SMILESCCCCc1cc(=O)[nH]c(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C15H18ClN3O2/c1-3-4-5-11-9-14(20)19-15(17-11)18-12-8-10(16)6-7-13(12)21-2/h6-9H,3-5H2,1-2H3,(H2,17,18,19,20)
InChIKeyDNTTWUQWCRRYJV-UHFFFAOYSA-N
XLogP3.52
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one
CID 135459608
4-butyl-2-(2,5-difluoroanilino)-1H-pyrimidin-6-one
CID 136779304
2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one
CID 135763942
2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one
CID 136778628
1-(5-chloro-2-methoxyphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine
CID 135450417
2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136778545
2-(2-methoxy-5-methylanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136779075
2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one
CID 136779303
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135552291
N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide
CID 136778835
2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
CID 136779002
2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,5-dichlorophenyl)propanamide
CID 136685166

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one?
The IUPAC name of 4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one (CID 136778998) is 4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one is CCCCc1cc(=O)[nH]c(Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of 4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one?
The InChIKey is DNTTWUQWCRRYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-4-5-11-9-14(20)19-15(17-11)18-12-8-10(16)6-7-13(12)21-2/h6-9H,3-5H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one?
4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one has a molecular weight of 307.78 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136778998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).