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

C9H12ClN3O2 — CID 114581885

IUPAC3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O2/c1-6-12-7(10)5-9(15)13(6)4-3-8(14)11-2/h5H,3-4H2,1-2H3,(H,11,14)
InChIKeyRWAPLLLHFCQQKU-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.34
Rot. Bonds3

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

3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide (PubChem CID 114581885) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
PubChem CID114581885
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O2/c1-6-12-7(10)5-9(15)13(6)4-3-8(14)11-2/h5H,3-4H2,1-2H3,(H,11,14)
InChIKeyRWAPLLLHFCQQKU-UHFFFAOYSA-N
XLogP0.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-Amino-6-hydroxypyrimidin-2-YL)ethyl]-2,2-dimethylpropanamide
CID 136664803
2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylacetamide
CID 67282633
N-ethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide
CID 137304332
3-(2,4-Dimethyl-6-oxopyrimidin-1-yl)propanamide
CID 63770272
N-ethyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 66340053
3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 66341382
3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 113604535
3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 113604584
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)-N-methylacetamide
CID 114581614
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 114581615

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide (CID 114581885) is 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide is CNC(=O)CCn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The InChIKey is RWAPLLLHFCQQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-6-12-7(10)5-9(15)13(6)4-3-8(14)11-2/h5H,3-4H2,1-2H3,(H,11,14).
What are the key properties of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide has a molecular weight of 229.67 g/mol, XLogP of 0.34, 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)-N-methylpropanamide is sourced from PubChem (CID 114581885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).