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

C19H30N4O — CID 109251069

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(dipropylamino)pyrimidine-5-carboxamide
SMILESCCCN(CCC)c1ncc(C(=O)NCCC2=CCCCC2)cn1
InChIInChI=1S/C19H30N4O/c1-3-12-23(13-4-2)19-21-14-17(15-22-19)18(24)20-11-10-16-8-6-5-7-9-16/h8,14-15H,3-7,9-13H2,1-2H3,(H,20,24)
InChIKeySGBGKDDKJDYBBJ-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.72
Rot. Bonds9

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

N-[2-(cyclohexen-1-yl)ethyl]-2-(dipropylamino)pyrimidine-5-carboxamide (PubChem CID 109251069) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(dipropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(dipropylamino)pyrimidine-5-carboxamide
PubChem CID109251069
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(dipropylamino)pyrimidine-5-carboxamide
SMILESCCCN(CCC)c1ncc(C(=O)NCCC2=CCCCC2)cn1
InChIInChI=1S/C19H30N4O/c1-3-12-23(13-4-2)19-21-14-17(15-22-19)18(24)20-11-10-16-8-6-5-7-9-16/h8,14-15H,3-7,9-13H2,1-2H3,(H,20,24)
InChIKeySGBGKDDKJDYBBJ-UHFFFAOYSA-N
XLogP3.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
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-(propylamino)pyrimidine-5-carboxamide
CID 109246675
N-[2-(cyclohexen-1-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247071
2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide
CID 109251062
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
6-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109152689
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109052412
2-[2-(cyclohexen-1-yl)ethylamino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247660
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 109165089
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109251184
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-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109251047

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(dipropylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(dipropylamino)pyrimidine-5-carboxamide (CID 109251069) is N-[2-(cyclohexen-1-yl)ethyl]-2-(dipropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(dipropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(dipropylamino)pyrimidine-5-carboxamide is CCCN(CCC)c1ncc(C(=O)NCCC2=CCCCC2)cn1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(dipropylamino)pyrimidine-5-carboxamide?
The InChIKey is SGBGKDDKJDYBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-3-12-23(13-4-2)19-21-14-17(15-22-19)18(24)20-11-10-16-8-6-5-7-9-16/h8,14-15H,3-7,9-13H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(dipropylamino)pyrimidine-5-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(dipropylamino)pyrimidine-5-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(dipropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109251069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).