2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

C20H24N4O2 — CID 109299415

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCCC3=CCCCC3)n2)cc1
InChIInChI=1S/C20H24N4O2/c1-26-17-9-7-16(8-10-17)23-19(25)18-12-14-22-20(24-18)21-13-11-15-5-3-2-4-6-15/h5,7-10,12,14H,2-4,6,11,13H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyRHZAYSUISYQNPZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.04
Rot. Bonds7

About 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109299415) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109299415
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCCC3=CCCCC3)n2)cc1
InChIInChI=1S/C20H24N4O2/c1-26-17-9-7-16(8-10-17)23-19(25)18-12-14-22-20(24-18)21-13-11-15-5-3-2-4-6-15/h5,7-10,12,14H,2-4,6,11,13H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyRHZAYSUISYQNPZ-UHFFFAOYSA-N
XLogP4.04
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109299417
2-[2-(cyclohexen-1-yl)ethylamino]-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109299423
N-(4-cyanophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109299453
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109299391
N-(4-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109299408
2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109299371
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308723
2-(butylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4-carboxamide
CID 109296312
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109299424
N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109323353
4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109205625
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109251261

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (CID 109299415) is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(NCCC3=CCCCC3)n2)cc1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is RHZAYSUISYQNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-26-17-9-7-16(8-10-17)23-19(25)18-12-14-22-20(24-18)21-13-11-15-5-3-2-4-6-15/h5,7-10,12,14H,2-4,6,11,13H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109299415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).