2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide

C20H26N4O — CID 109298800

IUPAC2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nccc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C20H26N4O/c1-2-24(15-16-9-5-3-6-10-16)20-21-14-13-18(23-20)19(25)22-17-11-7-4-8-12-17/h3,5-6,9-10,13-14,17H,2,4,7-8,11-12,15H2,1H3,(H,22,25)
InChIKeyVMGHULSMMZZKPZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.57
Rot. Bonds6

About 2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide

2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide (PubChem CID 109298800) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide
PubChem CID109298800
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nccc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C20H26N4O/c1-2-24(15-16-9-5-3-6-10-16)20-21-14-13-18(23-20)19(25)22-17-11-7-4-8-12-17/h3,5-6,9-10,13-14,17H,2,4,7-8,11-12,15H2,1H3,(H,22,25)
InChIKeyVMGHULSMMZZKPZ-UHFFFAOYSA-N
XLogP3.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide
CID 109212597
4-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109204016
5-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109182187
azepan-1-yl-[2-[benzyl(ethyl)amino]pyrimidin-4-yl]methanone
CID 109306711
2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide
CID 109322795
2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide
CID 109303634
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109306739
2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide
CID 109081382
2-[benzyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306437
2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109306729
2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109306779
2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
CID 112882242

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide (CID 109298800) is 2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide is CCN(Cc1ccccc1)c1nccc(C(=O)NC2CCCCC2)n1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide?
The InChIKey is VMGHULSMMZZKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-24(15-16-9-5-3-6-10-16)20-21-14-13-18(23-20)19(25)22-17-11-7-4-8-12-17/h3,5-6,9-10,13-14,17H,2,4,7-8,11-12,15H2,1H3,(H,22,25).
What are the key properties of 2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide?
2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide is sourced from PubChem (CID 109298800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).