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

C21H25N5O2 — CID 109251271

IUPACN-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(NCCC3=CCCCC3)nc2)cc1
InChIInChI=1S/C21H25N5O2/c1-15(27)25-18-7-9-19(10-8-18)26-20(28)17-13-23-21(24-14-17)22-12-11-16-5-3-2-4-6-16/h5,7-10,13-14H,2-4,6,11-12H2,1H3,(H,25,27)(H,26,28)(H,22,23,24)
InChIKeyAUSBAVCOLQBFST-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.99
Rot. Bonds7

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

N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide (PubChem CID 109251271) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide
PubChem CID109251271
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(NCCC3=CCCCC3)nc2)cc1
InChIInChI=1S/C21H25N5O2/c1-15(27)25-18-7-9-19(10-8-18)26-20(28)17-13-23-21(24-14-17)22-12-11-16-5-3-2-4-6-16/h5,7-10,13-14H,2-4,6,11-12H2,1H3,(H,25,27)(H,26,28)(H,22,23,24)
InChIKeyAUSBAVCOLQBFST-UHFFFAOYSA-N
XLogP3.99
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.99
H-Bond Donors ≤ 53
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-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109251261
2-[2-(cyclohexen-1-yl)ethylamino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247660
N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109323353
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyrimidine-5-carboxamide
CID 109246675
N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183801
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109251184
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109183775
4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045058
N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811
N-[2-(cyclohexen-1-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247071

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide (CID 109251271) is N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnc(NCCC3=CCCCC3)nc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide?
The InChIKey is AUSBAVCOLQBFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15(27)25-18-7-9-19(10-8-18)26-20(28)17-13-23-21(24-14-17)22-12-11-16-5-3-2-4-6-16/h5,7-10,13-14H,2-4,6,11-12H2,1H3,(H,25,27)(H,26,28)(H,22,23,24).
What are the key properties of N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide?
N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109251271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).