6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

C20H19N5O — CID 112851732

IUPAC6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19N5O/c26-20(22-13-14-8-10-21-11-9-14)17-12-18(23-16-6-7-16)25-19(24-17)15-4-2-1-3-5-15/h1-5,8-12,16H,6-7,13H2,(H,22,26)(H,23,24,25)
InChIKeyZENOXUCULWUTCN-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.04
Rot. Bonds6

About 6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 112851732) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID112851732
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19N5O/c26-20(22-13-14-8-10-21-11-9-14)17-12-18(23-16-6-7-16)25-19(24-17)15-4-2-1-3-5-15/h1-5,8-12,16H,6-7,13H2,(H,22,26)(H,23,24,25)
InChIKeyZENOXUCULWUTCN-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-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852815
N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716
6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112851723
6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852514
6-(3-fluoroanilino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112854155
6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852816
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
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
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-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 112851732) is 6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1ccncc1)c1cc(NC2CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is ZENOXUCULWUTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20(22-13-14-8-10-21-11-9-14)17-12-18(23-16-6-7-16)25-19(24-17)15-4-2-1-3-5-15/h1-5,8-12,16H,6-7,13H2,(H,22,26)(H,23,24,25).
What are the key properties of 6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)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 6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112851732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).