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

C10H14ClN3O2 — CID 114581860

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-4-13(3)10(16)6-14-7(2)12-8(11)5-9(14)15/h5H,4,6H2,1-3H3
InChIKeyVBQJTRZDCYZNGK-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.68
Rot. Bonds3

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

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide (PubChem CID 114581860) 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-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
PubChem CID114581860
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-4-13(3)10(16)6-14-7(2)12-8(11)5-9(14)15/h5H,4,6H2,1-3H3
InChIKeyVBQJTRZDCYZNGK-UHFFFAOYSA-N
XLogP0.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide (CID 114581860) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
The InChIKey is VBQJTRZDCYZNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-4-13(3)10(16)6-14-7(2)12-8(11)5-9(14)15/h5H,4,6H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide has a molecular weight of 243.69 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 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-ethyl-N-methylacetamide is sourced from PubChem (CID 114581860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).