2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide

C20H30N4O — CID 109251062

IUPAC2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C20H30N4O/c25-19(21-13-12-16-8-4-3-5-9-16)17-14-22-20(23-15-17)24-18-10-6-1-2-7-11-18/h8,14-15,18H,1-7,9-13H2,(H,21,25)(H,22,23,24)
InChIKeyVJZROYRWTRKTIW-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.23
Rot. Bonds6

About 2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide

2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 109251062) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID109251062
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C20H30N4O/c25-19(21-13-12-16-8-4-3-5-9-16)17-14-22-20(23-15-17)24-18-10-6-1-2-7-11-18/h8,14-15,18H,1-7,9-13H2,(H,21,25)(H,22,23,24)
InChIKeyVJZROYRWTRKTIW-UHFFFAOYSA-N
XLogP4.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.23
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-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109251047
N-[2-(cyclohexen-1-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247071
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyrimidine-5-carboxamide
CID 109246675
2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323416
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109251184
N-[2-(cyclohexen-1-yl)ethyl]-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109251069
N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109248050
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
2-[2-(cyclohexen-1-yl)ethylamino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247660
N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109251154
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109251111
N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251021

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide (CID 109251062) is 2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide is O=C(NCCC1=CCCCC1)c1cnc(NC2CCCCCC2)nc1.
What is the InChIKey of 2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is VJZROYRWTRKTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c25-19(21-13-12-16-8-4-3-5-9-16)17-14-22-20(23-15-17)24-18-10-6-1-2-7-11-18/h8,14-15,18H,1-7,9-13H2,(H,21,25)(H,22,23,24).
What are the key properties of 2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide?
2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109251062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).