4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one

C15H19N3O — CID 136957955

IUPAC4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one
SMILESCCCCN(c1ccccc1)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C15H19N3O/c1-3-4-10-18(13-8-6-5-7-9-13)14-11-15(19)17-12(2)16-14/h5-9,11H,3-4,10H2,1-2H3,(H,16,17,19)
InChIKeySEFZLQIWERFXCC-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.02
Rot. Bonds5

About 4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one

4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957955) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136957955
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one
SMILESCCCCN(c1ccccc1)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C15H19N3O/c1-3-4-10-18(13-8-6-5-7-9-13)14-11-15(19)17-12(2)16-14/h5-9,11H,3-4,10H2,1-2H3,(H,16,17,19)
InChIKeySEFZLQIWERFXCC-UHFFFAOYSA-N
XLogP3.02
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[N-(3-aminopropyl)anilino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136972446
4-N-butyl-2-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 80844969
2-chloro-4-N,6-N-didodecyl-4-N,6-N-diphenylpyrimidine-4,6-diamine
CID 154412006
3-(N-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)anilino)propanenitrile
CID 136972915
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136957646
6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid
CID 64584230
N-butyl-3-chloro-N-phenylaniline
CID 23348476
4-[cyclopropylmethyl(propyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957507
butane;N-octyl-N-phenylaniline
CID 175431375
N-butyl-5-chloro-6-(methylaminomethyl)-N-phenylpyridin-2-amine
CID 64586601
4-[2-hydroxyethyl(pentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136979604

Frequently Asked Questions

What is the IUPAC name of 4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one (CID 136957955) is 4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one is CCCCN(c1ccccc1)c1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is SEFZLQIWERFXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-4-10-18(13-8-6-5-7-9-13)14-11-15(19)17-12(2)16-14/h5-9,11H,3-4,10H2,1-2H3,(H,16,17,19).
What are the key properties of 4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one?
4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 257.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).