2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide

C23H30N4O — CID 109323397

IUPAC2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nc(C)cc(C(=O)NCCC2=CCCCC2)n1
InChIInChI=1S/C23H30N4O/c1-3-27(17-20-12-8-5-9-13-20)23-25-18(2)16-21(26-23)22(28)24-15-14-19-10-6-4-7-11-19/h5,8-10,12-13,16H,3-4,6-7,11,14-15,17H2,1-2H3,(H,24,28)
InChIKeyZBYPZFWNRCKQBA-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.43
Rot. Bonds8

About 2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide

2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109323397) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109323397
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nc(C)cc(C(=O)NCCC2=CCCCC2)n1
InChIInChI=1S/C23H30N4O/c1-3-27(17-20-12-8-5-9-13-20)23-25-18(2)16-21(26-23)22(28)24-15-14-19-10-6-4-7-11-19/h5,8-10,12-13,16H,3-4,6-7,11,14-15,17H2,1-2H3,(H,24,28)
InChIKeyZBYPZFWNRCKQBA-UHFFFAOYSA-N
XLogP4.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
2-anilino-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323426
2-[benzyl(ethyl)amino]-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329023
2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109330461
2-(diethylamino)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyrimidine-4-carboxamide
CID 56731093
6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109364440
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318871
2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide
CID 109329482
2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328218
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109323431
2-[benzyl(ethyl)amino]-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324706
2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109329471

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109323397) is 2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide is CCN(Cc1ccccc1)c1nc(C)cc(C(=O)NCCC2=CCCCC2)n1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is ZBYPZFWNRCKQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-3-27(17-20-12-8-5-9-13-20)23-25-18(2)16-21(26-23)22(28)24-15-14-19-10-6-4-7-11-19/h5,8-10,12-13,16H,3-4,6-7,11,14-15,17H2,1-2H3,(H,24,28).
What are the key properties of 2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide?
2-[benzyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.43, 8 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-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109323397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).