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

C21H20N4O — CID 112851716

IUPACN-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H20N4O/c26-21(22-14-15-7-3-1-4-8-15)18-13-19(23-17-11-12-17)25-20(24-18)16-9-5-2-6-10-16/h1-10,13,17H,11-12,14H2,(H,22,26)(H,23,24,25)
InChIKeyIJEQCYYMAXLBOT-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.65
Rot. Bonds6

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

N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112851716) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112851716
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H20N4O/c26-21(22-14-15-7-3-1-4-8-15)18-13-19(23-17-11-12-17)25-20(24-18)16-9-5-2-6-10-16/h1-10,13,17H,11-12,14H2,(H,22,26)(H,23,24,25)
InChIKeyIJEQCYYMAXLBOT-UHFFFAOYSA-N
XLogP3.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112851732
6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112851723
6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852815
6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852816
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853
6-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
CID 112851709
6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853574
6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide
CID 112851758
N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319665
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851859
N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852636

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide (CID 112851716) is N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide is O=C(NCc1ccccc1)c1cc(NC2CC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is IJEQCYYMAXLBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-21(22-14-15-7-3-1-4-8-15)18-13-19(23-17-11-12-17)25-20(24-18)16-9-5-2-6-10-16/h1-10,13,17H,11-12,14H2,(H,22,26)(H,23,24,25).
What are the key properties of N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide?
N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).