2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C21H23N5O — CID 109329471

IUPAC2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nc(C)cc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C21H23N5O/c1-3-26(15-17-8-5-4-6-9-17)21-24-16(2)12-19(25-21)20(27)23-14-18-10-7-11-22-13-18/h4-13H,3,14-15H2,1-2H3,(H,23,27)
InChIKeyZBSFGTIVUFDLRI-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.14
Rot. Bonds7

About 2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109329471) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109329471
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nc(C)cc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C21H23N5O/c1-3-26(15-17-8-5-4-6-9-17)21-24-16(2)12-19(25-21)20(27)23-14-18-10-7-11-22-13-18/h4-13H,3,14-15H2,1-2H3,(H,23,27)
InChIKeyZBSFGTIVUFDLRI-UHFFFAOYSA-N
XLogP3.14
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330013
2-[benzyl(ethyl)amino]-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329023
2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide
CID 109329482
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
2-[benzyl(ethyl)amino]-N-(2-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329512
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109330248
2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329511
2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329498
2-[benzyl(ethyl)amino]-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324706
2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323397
6-methyl-2-[(4-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109327787
2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109324862

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 109329471) is 2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is CCN(Cc1ccccc1)c1nc(C)cc(C(=O)NCc2cccnc2)n1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is ZBSFGTIVUFDLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-3-26(15-17-8-5-4-6-9-17)21-24-16(2)12-19(25-21)20(27)23-14-18-10-7-11-22-13-18/h4-13H,3,14-15H2,1-2H3,(H,23,27).
What are the key properties of 2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109329471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).