N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide

C22H27N5O2 — CID 109323353

IUPACN-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(C)nc(NCCC3=CCCCC3)n2)cc1
InChIInChI=1S/C22H27N5O2/c1-15-14-20(21(29)26-19-10-8-18(9-11-19)25-16(2)28)27-22(24-15)23-13-12-17-6-4-3-5-7-17/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,25,28)(H,26,29)(H,23,24,27)
InChIKeyRNPPRIOCGRSRJW-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.30
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide

N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109323353) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide
PubChem CID109323353
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(C)nc(NCCC3=CCCCC3)n2)cc1
InChIInChI=1S/C22H27N5O2/c1-15-14-20(21(29)26-19-10-8-18(9-11-19)25-16(2)28)27-22(24-15)23-13-12-17-6-4-3-5-7-17/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,25,28)(H,26,29)(H,23,24,27)
InChIKeyRNPPRIOCGRSRJW-UHFFFAOYSA-N
XLogP4.30
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.30
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-(3,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109323370
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109323362
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318871
N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide
CID 109251271
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109323407
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109323403
N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183801
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109299415
2-[(2-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323392
2-anilino-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323426
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109299417
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109323394

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide (CID 109323353) is N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(C)nc(NCCC3=CCCCC3)n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is RNPPRIOCGRSRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15-14-20(21(29)26-19-10-8-18(9-11-19)25-16(2)28)27-22(24-15)23-13-12-17-6-4-3-5-7-17/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,25,28)(H,26,29)(H,23,24,27).
What are the key properties of N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide?
N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.30, 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]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109323353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).