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

C10H14ClN3O2 — CID 114581859

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-4-12-10(16)6(2)14-7(3)13-8(11)5-9(14)15/h5-6H,4H2,1-3H3,(H,12,16)
InChIKeyYXFVFLIUGSVHHS-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.90
Rot. Bonds3

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

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide (PubChem CID 114581859) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
PubChem CID114581859
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-4-12-10(16)6(2)14-7(3)13-8(11)5-9(14)15/h5-6H,4H2,1-3H3,(H,12,16)
InChIKeyYXFVFLIUGSVHHS-UHFFFAOYSA-N
XLogP0.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604180
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604521
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114585012
2-Methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one
CID 20671584
N-butan-2-yl-6-oxo-1H-pyrimidine-2-carboxamide
CID 172999736
6-oxo-N-propan-2-yl-1H-pyrimidine-2-carboxamide
CID 172999971
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 113604157
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604166
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604170
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 113604171
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 113604177
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604185

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide (CID 114581859) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide is CCNC(=O)C(C)n1c(C)nc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The InChIKey is YXFVFLIUGSVHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-4-12-10(16)6(2)14-7(3)13-8(11)5-9(14)15/h5-6H,4H2,1-3H3,(H,12,16).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide has a molecular weight of 243.69 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 114581859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).