2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide

C12H13ClN4O — CID 114219509

IUPAC2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(CCC#N)C2CC2)nc(Cl)n1
InChIInChI=1S/C12H13ClN4O/c1-8-7-10(16-12(13)15-8)11(18)17(6-2-5-14)9-3-4-9/h7,9H,2-4,6H2,1H3
InChIKeyGVFYTRUMPOPDQP-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.96
Rot. Bonds4

About 2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide

2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide (PubChem CID 114219509) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide
PubChem CID114219509
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(CCC#N)C2CC2)nc(Cl)n1
InChIInChI=1S/C12H13ClN4O/c1-8-7-10(16-12(13)15-8)11(18)17(6-2-5-14)9-3-4-9/h7,9H,2-4,6H2,1H3
InChIKeyGVFYTRUMPOPDQP-UHFFFAOYSA-N
XLogP1.96
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid
CID 114219365
4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 61053675
2-chloro-N-(cyanomethyl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 114219742
N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide
CID 114820604
N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625544
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167
6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide
CID 62159894
6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 55041760
3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide
CID 62175803
N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
CID 54997505
6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid
CID 54997229
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide
CID 54982144

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide (CID 114219509) is 2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)N(CCC#N)C2CC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is GVFYTRUMPOPDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8-7-10(16-12(13)15-8)11(18)17(6-2-5-14)9-3-4-9/h7,9H,2-4,6H2,1H3.
What are the key properties of 2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide?
2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 114219509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).