2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide

C16H17FN4O — CID 109296149

IUPAC2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1ccnc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN4O/c1-2-9-18-15(22)14-8-11-20-16(21-14)19-10-7-12-3-5-13(17)6-4-12/h2-6,8,11H,1,7,9-10H2,(H,18,22)(H,19,20,21)
InChIKeyWXNWJSHSEMRDMO-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.19
Rot. Bonds7

About 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide

2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109296149) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109296149
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1ccnc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN4O/c1-2-9-18-15(22)14-8-11-20-16(21-14)19-10-7-12-3-5-13(17)6-4-12/h2-6,8,11H,1,7,9-10H2,(H,18,22)(H,19,20,21)
InChIKeyWXNWJSHSEMRDMO-UHFFFAOYSA-N
XLogP2.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.19
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-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308419
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308380
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide
CID 109294765
N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295911
N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295966
N-[2-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299633
N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307799
5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide
CID 109271987
6-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339651
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308462
N-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109297311
2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109295559

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide (CID 109296149) is 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1ccnc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is WXNWJSHSEMRDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-2-9-18-15(22)14-8-11-20-16(21-14)19-10-7-12-3-5-13(17)6-4-12/h2-6,8,11H,1,7,9-10H2,(H,18,22)(H,19,20,21).
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide?
2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109296149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).