N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

C20H19N5O — CID 112851864

IUPACN-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(NCc2ccccn2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19N5O/c26-20(23-15-9-10-15)17-12-18(22-13-16-8-4-5-11-21-16)25-19(24-17)14-6-2-1-3-7-14/h1-8,11-12,15H,9-10,13H2,(H,23,26)(H,22,24,25)
InChIKeyDTSVKJPNOJLZEY-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.04
Rot. Bonds6

About N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 112851864) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID112851864
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(NCc2ccccn2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19N5O/c26-20(23-15-9-10-15)17-12-18(22-13-16-8-4-5-11-21-16)25-19(24-17)14-6-2-1-3-7-14/h1-8,11-12,15H,9-10,13H2,(H,23,26)(H,22,24,25)
InChIKeyDTSVKJPNOJLZEY-UHFFFAOYSA-N
XLogP3.04
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851859
N-(4-fluorophenyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112854063
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 59340687
N-(furan-2-ylmethyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112853936
N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide
CID 112851870
N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112852847
6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide
CID 112853019
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851893
N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120685
6-N-cyclopropyl-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093842

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 112851864) is N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is O=C(NC1CC1)c1cc(NCc2ccccn2)nc(-c2ccccc2)n1.
What is the InChIKey of N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is DTSVKJPNOJLZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20(23-15-9-10-15)17-12-18(22-13-16-8-4-5-11-21-16)25-19(24-17)14-6-2-1-3-7-14/h1-8,11-12,15H,9-10,13H2,(H,23,26)(H,22,24,25).
What are the key properties of N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112851864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).