2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide

C21H26N4O — CID 109251184

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc(NCCC2=CCCCC2)nc1
InChIInChI=1S/C21H26N4O/c26-20(22-13-11-17-7-3-1-4-8-17)19-15-24-21(25-16-19)23-14-12-18-9-5-2-6-10-18/h1,3-4,7-9,15-16H,2,5-6,10-14H2,(H,22,26)(H,23,24,25)
InChIKeyCAJLTVMFKUHBQA-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.75
Rot. Bonds8

About 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide

2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 109251184) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
PubChem CID109251184
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc(NCCC2=CCCCC2)nc1
InChIInChI=1S/C21H26N4O/c26-20(22-13-11-17-7-3-1-4-8-17)19-15-24-21(25-16-19)23-14-12-18-9-5-2-6-10-18/h1,3-4,7-9,15-16H,2,5-6,10-14H2,(H,22,26)(H,23,24,25)
InChIKeyCAJLTVMFKUHBQA-UHFFFAOYSA-N
XLogP3.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109152709
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyrimidine-5-carboxamide
CID 109246675
N-benzyl-2-[2-(cyclohexen-1-yl)ethylamino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109251208
2-[2-(cyclohexen-1-yl)ethylamino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247660
N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251021
N-[2-(cyclohexen-1-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247071
2-[2-(cyclohexen-1-yl)ethylamino]-4-(cyclohexylmethylamino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 45488985
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109205458
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide
CID 109251271

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide (CID 109251184) is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide is O=C(NCCc1ccccc1)c1cnc(NCCC2=CCCCC2)nc1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is CAJLTVMFKUHBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-20(22-13-11-17-7-3-1-4-8-17)19-15-24-21(25-16-19)23-14-12-18-9-5-2-6-10-18/h1,3-4,7-9,15-16H,2,5-6,10-14H2,(H,22,26)(H,23,24,25).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide?
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109251184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).