N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide

C20H26N4O — CID 109250486

IUPACN-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C20H26N4O/c1-2-24(15-16-9-5-3-6-10-16)19(25)17-13-21-20(22-14-17)23-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,18H,2,4,7-8,11-12,15H2,1H3,(H,21,22,23)
InChIKeyDXYYWTIUEGBKIM-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.88
Rot. Bonds6

About N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide

N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide (PubChem CID 109250486) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide
PubChem CID109250486
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C20H26N4O/c1-2-24(15-16-9-5-3-6-10-16)19(25)17-13-21-20(22-14-17)23-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,18H,2,4,7-8,11-12,15H2,1H3,(H,21,22,23)
InChIKeyDXYYWTIUEGBKIM-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide
CID 109250532
N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide
CID 53108650
4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 109044420
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109247558
N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258372
N-benzyl-N-ethyl-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256485
N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109258347
N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide
CID 109257482
N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258364
2-N-benzyl-4-N-cyclohexyl-2-N-ethylpyridine-2,4-dicarboxamide
CID 109081382
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyrimidine-5-carboxamide
CID 109254752

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide (CID 109250486) is N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide is CCN(Cc1ccccc1)C(=O)c1cnc(NC2CCCCC2)nc1.
What is the InChIKey of N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide?
The InChIKey is DXYYWTIUEGBKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-24(15-16-9-5-3-6-10-16)19(25)17-13-21-20(22-14-17)23-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,18H,2,4,7-8,11-12,15H2,1H3,(H,21,22,23).
What are the key properties of N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide?
N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide is sourced from PubChem (CID 109250486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).