N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide

C21H17N5O — CID 112851822

IUPACN-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(NC3CC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H17N5O/c22-13-14-6-8-17(9-7-14)24-21(27)18-12-19(23-16-10-11-16)26-20(25-18)15-4-2-1-3-5-15/h1-9,12,16H,10-11H2,(H,24,27)(H,23,25,26)
InChIKeyMGTGCYBXWWZTIE-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.84
Rot. Bonds5

About N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide

N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112851822) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112851822
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC NameN-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(NC3CC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H17N5O/c22-13-14-6-8-17(9-7-14)24-21(27)18-12-19(23-16-10-11-16)26-20(25-18)15-4-2-1-3-5-15/h1-9,12,16H,10-11H2,(H,24,27)(H,23,25,26)
InChIKeyMGTGCYBXWWZTIE-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112879566
N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851815
N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319833
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112851824
N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716
6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112851799
6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851948
6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide
CID 112852480
6-(cyclopropylamino)-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112851800
6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112851732
[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112851698

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide (CID 112851822) is N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide is N#Cc1ccc(NC(=O)c2cc(NC3CC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is MGTGCYBXWWZTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c22-13-14-6-8-17(9-7-14)24-21(27)18-12-19(23-16-10-11-16)26-20(25-18)15-4-2-1-3-5-15/h1-9,12,16H,10-11H2,(H,24,27)(H,23,25,26).
What are the key properties of N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide?
N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).