N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide

C17H26N4O — CID 109318871

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nc(C)cc(C(=O)NCCC2=CCCCC2)n1
InChIInChI=1S/C17H26N4O/c1-3-10-19-17-20-13(2)12-15(21-17)16(22)18-11-9-14-7-5-4-6-8-14/h7,12H,3-6,8-11H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyQUICLEFYGHGDBC-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.23
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109318871) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
PubChem CID109318871
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nc(C)cc(C(=O)NCCC2=CCCCC2)n1
InChIInChI=1S/C17H26N4O/c1-3-10-19-17-20-13(2)12-15(21-17)16(22)18-11-9-14-7-5-4-6-8-14/h7,12H,3-6,8-11H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyQUICLEFYGHGDBC-UHFFFAOYSA-N
XLogP3.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.23
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

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-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109323436
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-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323416
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109323394
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109323433
N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109323353
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109323473
N-[2-(cyclohexen-1-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)amino]-6-methylpyrimidine-4-carboxamide
CID 109323409
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyrimidine-5-carboxamide
CID 109246675

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide (CID 109318871) is N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide is CCCNc1nc(C)cc(C(=O)NCCC2=CCCCC2)n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is QUICLEFYGHGDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-10-19-17-20-13(2)12-15(21-17)16(22)18-11-9-14-7-5-4-6-8-14/h7,12H,3-6,8-11H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).