6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide

C19H21FN4O — CID 109342577

IUPAC6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(NCCC2=CCCCC2)ncn1
InChIInChI=1S/C19H21FN4O/c20-15-8-4-5-9-16(15)24-19(25)17-12-18(23-13-22-17)21-11-10-14-6-2-1-3-7-14/h4-6,8-9,12-13H,1-3,7,10-11H2,(H,24,25)(H,21,22,23)
InChIKeyJRHAFCARHCEFRD-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.17
Rot. Bonds6

About 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide

6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109342577) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID109342577
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(NCCC2=CCCCC2)ncn1
InChIInChI=1S/C19H21FN4O/c20-15-8-4-5-9-16(15)24-19(25)17-12-18(23-13-22-17)21-11-10-14-6-2-1-3-7-14/h4-6,8-9,12-13H,1-3,7,10-11H2,(H,24,25)(H,21,22,23)
InChIKeyJRHAFCARHCEFRD-UHFFFAOYSA-N
XLogP4.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.17
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]-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342498
6-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109342563
N-(3-acetylphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342599
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109342594
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109095616
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351447
methyl 4-[[6-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109342605
N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354441
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109052462
6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109346544
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide
CID 109342549
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-difluorophenyl)pyrazine-2-carboxamide
CID 109275648

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide (CID 109342577) is 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1ccccc1F)c1cc(NCCC2=CCCCC2)ncn1.
What is the InChIKey of 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is JRHAFCARHCEFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c20-15-8-4-5-9-16(15)24-19(25)17-12-18(23-13-22-17)21-11-10-14-6-2-1-3-7-14/h4-6,8-9,12-13H,1-3,7,10-11H2,(H,24,25)(H,21,22,23).
What are the key properties of 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide?
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109342577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).