N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide

C21H23N5O — CID 109260693

IUPACN-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cnc(N(C)CCc3ccncc3)nc2)c1
InChIInChI=1S/C21H23N5O/c1-15-4-5-16(2)19(12-15)25-20(27)18-13-23-21(24-14-18)26(3)11-8-17-6-9-22-10-7-17/h4-7,9-10,12-14H,8,11H2,1-3H3,(H,25,27)
InChIKeyZRGXMPJZNPGIAA-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.42
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide

N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide (PubChem CID 109260693) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
PubChem CID109260693
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cnc(N(C)CCc3ccncc3)nc2)c1
InChIInChI=1S/C21H23N5O/c1-15-4-5-16(2)19(12-15)25-20(27)18-13-23-21(24-14-18)26(3)11-8-17-6-9-22-10-7-17/h4-7,9-10,12-14H,8,11H2,1-3H3,(H,25,27)
InChIKeyZRGXMPJZNPGIAA-UHFFFAOYSA-N
XLogP3.42
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048101
N-(3-chloro-2-methylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260714
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109260702
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259105
N-(2,4-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192968
N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260720
N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109255237
N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109257591
1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977845
2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109256795
N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246763
1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109149196

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide (CID 109260693) is N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide is Cc1ccc(C)c(NC(=O)c2cnc(N(C)CCc3ccncc3)nc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide?
The InChIKey is ZRGXMPJZNPGIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-4-5-16(2)19(12-15)25-20(27)18-13-23-21(24-14-18)26(3)11-8-17-6-9-22-10-7-17/h4-7,9-10,12-14H,8,11H2,1-3H3,(H,25,27).
What are the key properties of N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide?
N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109260693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).