N-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide

C23H30N4O — CID 109251208

IUPACN-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cnc(NCCC2=CCCCC2)nc1
InChIInChI=1S/C23H30N4O/c1-18(2)27(17-20-11-7-4-8-12-20)22(28)21-15-25-23(26-16-21)24-14-13-19-9-5-3-6-10-19/h4,7-9,11-12,15-16,18H,3,5-6,10,13-14,17H2,1-2H3,(H,24,25,26)
InChIKeyAEMQEZVSTJTDRG-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.83
Rot. Bonds8

About N-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide

N-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 109251208) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID109251208
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cnc(NCCC2=CCCCC2)nc1
InChIInChI=1S/C23H30N4O/c1-18(2)27(17-20-11-7-4-8-12-20)22(28)21-15-25-23(26-16-21)24-14-13-19-9-5-3-6-10-19/h4,7-9,11-12,15-16,18H,3,5-6,10,13-14,17H2,1-2H3,(H,24,25,26)
InChIKeyAEMQEZVSTJTDRG-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
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-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109251184
N-benzyl-2-[(4-chlorophenyl)methylamino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109257696
N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109158221
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyrimidine-5-carboxamide
CID 109246675
N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide
CID 109251271
N-[2-(cyclohexen-1-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247071
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109152709
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109251261
2-[2-(cyclohexen-1-yl)ethylamino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247660
N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249433
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide (CID 109251208) is N-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cnc(NCCC2=CCCCC2)nc1.
What is the InChIKey of N-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is AEMQEZVSTJTDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-18(2)27(17-20-11-7-4-8-12-20)22(28)21-15-25-23(26-16-21)24-14-13-19-9-5-3-6-10-19/h4,7-9,11-12,15-16,18H,3,5-6,10,13-14,17H2,1-2H3,(H,24,25,26).
What are the key properties of N-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide?
N-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109251208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).