2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide

C22H28N4O2 — CID 109251261

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cnc(NCCC3=CCCCC3)nc2)cc1
InChIInChI=1S/C22H28N4O2/c1-16(2)28-20-10-8-19(9-11-20)26-21(27)18-14-24-22(25-15-18)23-13-12-17-6-4-3-5-7-17/h6,8-11,14-16H,3-5,7,12-13H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeySEUFOGVFONXXMO-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.82
Rot. Bonds8

About 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide

2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109251261) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
PubChem CID109251261
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cnc(NCCC3=CCCCC3)nc2)cc1
InChIInChI=1S/C22H28N4O2/c1-16(2)28-20-10-8-19(9-11-20)26-21(27)18-14-24-22(25-15-18)23-13-12-17-6-4-3-5-7-17/h6,8-11,14-16H,3-5,7,12-13H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeySEUFOGVFONXXMO-UHFFFAOYSA-N
XLogP4.82
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.82
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

N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide
CID 109251271
N-[2-(cyclohexen-1-yl)ethyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109183679
2-[2-(cyclohexen-1-yl)ethylamino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247660
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109299415
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112943234
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109251111
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyrimidine-5-carboxamide
CID 109246675
N-[2-(cyclohexen-1-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247071
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109299417
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109166702
2-(tert-butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109263016
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109205510

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide (CID 109251261) is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide is CC(C)Oc1ccc(NC(=O)c2cnc(NCCC3=CCCCC3)nc2)cc1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is SEUFOGVFONXXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16(2)28-20-10-8-19(9-11-20)26-21(27)18-14-24-22(25-15-18)23-13-12-17-6-4-3-5-7-17/h6,8-11,14-16H,3-5,7,12-13H2,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.82, 8 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-propan-2-yloxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109251261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).