4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one

C9H14ClN3O — CID 137009015

IUPAC4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
SMILESCCCCN(C)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H14ClN3O/c1-3-4-5-13(2)8-7(10)9(14)12-6-11-8/h6H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyHXRUSAYBXLHYER-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.66
Rot. Bonds4

About 4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one

4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one (PubChem CID 137009015) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
PubChem CID137009015
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
SMILESCCCCN(C)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H14ClN3O/c1-3-4-5-13(2)8-7(10)9(14)12-6-11-8/h6H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyHXRUSAYBXLHYER-UHFFFAOYSA-N
XLogP1.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[butyl(methyl)amino]-5-chloro-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(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136993915
5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009363
5-chloro-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009951
4-[benzyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136970695
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007500
5-chloro-4-[cyclopropyl(propyl)amino]-1H-pyrimidin-6-one
CID 136970750
4-[2-aminoethyl(ethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137008333
5-chloro-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136981165
5-chloro-4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one
CID 137009662
5-chloro-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1H-pyrimidin-6-one
CID 136971313
5-chloro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1H-pyrimidin-6-one
CID 137009644
5-chloro-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one
CID 136971007

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one (CID 137009015) is 4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one is CCCCN(C)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is HXRUSAYBXLHYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-3-4-5-13(2)8-7(10)9(14)12-6-11-8/h6H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of 4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one?
4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 215.68 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 137009015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).