6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide

C21H17N5O — CID 112851948

IUPAC6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
SMILESN#Cc1ccccc1Nc1cc(C(=O)NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H17N5O/c22-13-15-8-4-5-9-17(15)24-19-12-18(21(27)23-16-10-11-16)25-20(26-19)14-6-2-1-3-7-14/h1-9,12,16H,10-11H2,(H,23,27)(H,24,25,26)
InChIKeyYARBXTXGORKPQC-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.65
Rot. Bonds5

About 6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide

6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide (PubChem CID 112851948) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
PubChem CID112851948
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
SMILESN#Cc1ccccc1Nc1cc(C(=O)NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H17N5O/c22-13-15-8-4-5-9-17(15)24-19-12-18(21(27)23-16-10-11-16)25-20(26-19)14-6-2-1-3-7-14/h1-9,12,16H,10-11H2,(H,23,27)(H,24,25,26)
InChIKeyYARBXTXGORKPQC-UHFFFAOYSA-N
XLogP3.65
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851919
6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853277
6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851934
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
CID 112854264
N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851897
2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide
CID 109295903
N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851336
N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851822
6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide
CID 112853019
6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851859

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide (CID 112851948) is 6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide is N#Cc1ccccc1Nc1cc(C(=O)NC2CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide?
The InChIKey is YARBXTXGORKPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c22-13-15-8-4-5-9-17(15)24-19-12-18(21(27)23-16-10-11-16)25-20(26-19)14-6-2-1-3-7-14/h1-9,12,16H,10-11H2,(H,23,27)(H,24,25,26).
What are the key properties of 6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide?
6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).