4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one

C16H21N3O — CID 136779086

IUPAC4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one
SMILESCCCCc1cc(=O)[nH]c(Nc2ccc(C)cc2C)n1
InChIInChI=1S/C16H21N3O/c1-4-5-6-13-10-15(20)19-16(17-13)18-14-8-7-11(2)9-12(14)3/h7-10H,4-6H2,1-3H3,(H2,17,18,19,20)
InChIKeyMMLFMRYPDUOSBF-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.47
Rot. Bonds5

About 4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one

4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one (PubChem CID 136779086) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one
PubChem CID136779086
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one
SMILESCCCCc1cc(=O)[nH]c(Nc2ccc(C)cc2C)n1
InChIInChI=1S/C16H21N3O/c1-4-5-6-13-10-15(20)19-16(17-13)18-14-8-7-11(2)9-12(14)3/h7-10H,4-6H2,1-3H3,(H2,17,18,19,20)
InChIKeyMMLFMRYPDUOSBF-UHFFFAOYSA-N
XLogP3.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butyl-2-(2,5-difluoroanilino)-1H-pyrimidin-6-one
CID 136779304
4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one
CID 136780144
4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136778998
2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one
CID 135459608
N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide
CID 136778835
2-(4-chloro-2-methylanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136779023
2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one
CID 136779303
propyl 4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]benzoate
CID 136778726
2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one
CID 136778628
2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741575
2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one
CID 135506181
2-[4-(diethylamino)-2-methylanilino]-4-methyl-1H-pyrimidin-6-one
CID 136779231

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one?
The IUPAC name of 4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one (CID 136779086) is 4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one is CCCCc1cc(=O)[nH]c(Nc2ccc(C)cc2C)n1.
What is the InChIKey of 4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one?
The InChIKey is MMLFMRYPDUOSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-5-6-13-10-15(20)19-16(17-13)18-14-8-7-11(2)9-12(14)3/h7-10H,4-6H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one?
4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one has a molecular weight of 271.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136779086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).