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

C10H12ClN3O2 — CID 114584526

IUPAC2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C10H12ClN3O2/c1-12-8(15)5-14-9(16)4-7(11)13-10(14)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,12,15)
InChIKeyFDAGHXCLCZXUDT-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.52
Rot. Bonds3

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

2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-methylacetamide (PubChem CID 114584526) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-methylacetamide
PubChem CID114584526
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C10H12ClN3O2/c1-12-8(15)5-14-9(16)4-7(11)13-10(14)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,12,15)
InChIKeyFDAGHXCLCZXUDT-UHFFFAOYSA-N
XLogP0.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604521
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114584717
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114585012
N-(cyclopropylmethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66341152
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-pentan-3-ylacetamide
CID 113604185
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 113604190
N-butan-2-yl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604489
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 113604502
N-tert-butyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604526
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 113604528
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604530

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-methylacetamide (CID 114584526) is 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-methylacetamide is CNC(=O)Cn1c(C2CC2)nc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-methylacetamide?
The InChIKey is FDAGHXCLCZXUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-12-8(15)5-14-9(16)4-7(11)13-10(14)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,12,15).
What are the key properties of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-methylacetamide?
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-methylacetamide has a molecular weight of 241.68 g/mol, XLogP of 0.52, 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-cyclopropyl-6-oxopyrimidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 114584526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).