4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one

C16H29N3O — CID 144503914

IUPAC4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one
SMILESCCCCc1nc(CCC(CC)NC)[nH]c(=O)c1CC
InChIInChI=1S/C16H29N3O/c1-5-8-9-14-13(7-3)16(20)19-15(18-14)11-10-12(6-2)17-4/h12,17H,5-11H2,1-4H3,(H,18,19,20)
InChIKeyVJAYDEZLJFOQLR-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.61
Rot. Bonds9

About 4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one

4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one (PubChem CID 144503914) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one
PubChem CID144503914
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one
SMILESCCCCc1nc(CCC(CC)NC)[nH]c(=O)c1CC
InChIInChI=1S/C16H29N3O/c1-5-8-9-14-13(7-3)16(20)19-15(18-14)11-10-12(6-2)17-4/h12,17H,5-11H2,1-4H3,(H,18,19,20)
InChIKeyVJAYDEZLJFOQLR-UHFFFAOYSA-N
XLogP2.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-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-Pyrimidinol, 5-decyl-2,6-dimethyl-
CID 135509307
5-Butyl-2,4-dimethyl-1,6-dihydropyrimidin-6-one
CID 137313605
N-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135896975
2-methyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 135671154
2,4-dimethyl-5-[1-(5,5,5-trifluoropentylamino)ethyl]-1H-pyrimidin-6-one
CID 136952774
5-butyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one
CID 135418972
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-methylhexan-2-yl)propanamide
CID 136080807
14-Methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one
CID 13815434
2-methyl-3-(2-(methylamino)ethyl)-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 39347502
2-n-Butyl-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135625455
2-butyl-4,5-ditert-butyl-1H-pyrimidin-6-one
CID 135680891
2-(2-butyl-4-hydroxy-6-methylpyrimidin-5-yl)-N,N-dimethylacetamide
CID 135741921

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one (CID 144503914) is 4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one is CCCCc1nc(CCC(CC)NC)[nH]c(=O)c1CC.
What is the InChIKey of 4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one?
The InChIKey is VJAYDEZLJFOQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-8-9-14-13(7-3)16(20)19-15(18-14)11-10-12(6-2)17-4/h12,17H,5-11H2,1-4H3,(H,18,19,20).
What are the key properties of 4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one?
4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one has a molecular weight of 279.43 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 144503914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).