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

C10H11ClN4O2 — CID 114581759

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)NCCC#N
InChIInChI=1S/C10H11ClN4O2/c1-7-14-8(11)5-10(17)15(7)6-9(16)13-4-2-3-12/h5H,2,4,6H2,1H3,(H,13,16)
InChIKeyRKFRQQHKGLUXRA-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.23
Rot. Bonds4

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

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide (PubChem CID 114581759) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide
PubChem CID114581759
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)NCCC#N
InChIInChI=1S/C10H11ClN4O2/c1-7-14-8(11)5-10(17)15(7)6-9(16)13-4-2-3-12/h5H,2,4,6H2,1H3,(H,13,16)
InChIKeyRKFRQQHKGLUXRA-UHFFFAOYSA-N
XLogP0.23
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
4-Amino-6-oxo-1-propylpyrimidine-2-carboxamide
CID 173128226
N-(2-cyanoethyl)-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66342488
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-(ethylcarbamoyl)propanamide
CID 113604177
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide (CID 114581759) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide is Cc1nc(Cl)cc(=O)n1CC(=O)NCCC#N.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide?
The InChIKey is RKFRQQHKGLUXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-7-14-8(11)5-10(17)15(7)6-9(16)13-4-2-3-12/h5H,2,4,6H2,1H3,(H,13,16).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide has a molecular weight of 254.68 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 114581759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).