4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide

C10H14ClN3O2 — CID 114582113

IUPAC4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1cnc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-13(2)9(15)4-3-5-14-7-12-8(11)6-10(14)16/h6-7H,3-5H2,1-2H3
InChIKeyVVOXNHYSEGRHIR-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.77
Rot. Bonds4

About 4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide

4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide (PubChem CID 114582113) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide
PubChem CID114582113
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1cnc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-13(2)9(15)4-3-5-14-7-12-8(11)6-10(14)16/h6-7H,3-5H2,1-2H3
InChIKeyVVOXNHYSEGRHIR-UHFFFAOYSA-N
XLogP0.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114582148
2,6-Dichloro-3-(1-methoxypropyl)pyrimidin-4-one
CID 118484035
6-Chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885723
6-Chloro-3-(2-methylpropyl)pyrimidin-4-one
CID 112547284
4-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylbutanamide
CID 113604601
4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide
CID 114581686
3-Butyl-6-chloro-2-methylpyrimidin-4-one
CID 114581815
4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114581852
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114581887
6-Chloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114582021
6-Chloro-3-pentylpyrimidin-4-one
CID 114582032
6-Chloro-3-(2-methylprop-2-enyl)pyrimidin-4-one
CID 114582084

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide?
The IUPAC name of 4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide (CID 114582113) is 4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide is CN(C)C(=O)CCCn1cnc(Cl)cc1=O.
What is the InChIKey of 4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide?
The InChIKey is VVOXNHYSEGRHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-13(2)9(15)4-3-5-14-7-12-8(11)6-10(14)16/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide?
4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide has a molecular weight of 243.69 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide is sourced from PubChem (CID 114582113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).