3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide

C8H10ClN3O2 — CID 114581667

IUPAC3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1nc(Cl)cc(=O)n1CCC(N)=O
InChIInChI=1S/C8H10ClN3O2/c1-5-11-6(9)4-8(14)12(5)3-2-7(10)13/h4H,2-3H2,1H3,(H2,10,13)
InChIKeyRYTOUPTYMDOVRC-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.08
Rot. Bonds3

About 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide

3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide (PubChem CID 114581667) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
PubChem CID114581667
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1nc(Cl)cc(=O)n1CCC(N)=O
InChIInChI=1S/C8H10ClN3O2/c1-5-11-6(9)4-8(14)12(5)3-2-7(10)13/h4H,2-3H2,1H3,(H2,10,13)
InChIKeyRYTOUPTYMDOVRC-UHFFFAOYSA-N
XLogP0.08
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-3-(3-fluoropropyl)-2-methylpyrimidin-4-one
CID 114581954
2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide
CID 67282633
6-Chloro-3-ethyl-2-methylpyrimidin-4-one
CID 114581811
6-Chloro-2,3-diethylpyrimidin-4-one
CID 114584343
3-(2,4-Dimethyl-6-oxopyrimidin-1-yl)propanamide
CID 63770272
3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 113604535
3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-cyclopropylpropanamide
CID 113604612
3-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114581597
2-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581626
4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide
CID 114581686
2-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 114581763
3-Butan-2-yl-6-chloro-2-methylpyrimidin-4-one
CID 114581776

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide (CID 114581667) is 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide is Cc1nc(Cl)cc(=O)n1CCC(N)=O.
What is the InChIKey of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is RYTOUPTYMDOVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-5-11-6(9)4-8(14)12(5)3-2-7(10)13/h4H,2-3H2,1H3,(H2,10,13).
What are the key properties of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide?
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 215.64 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 114581667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).