6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide

C15H15FN4O — CID 109339637

IUPAC6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(NCc2ccccc2F)ncn1
InChIInChI=1S/C15H15FN4O/c1-2-7-17-15(21)13-8-14(20-10-19-13)18-9-11-5-3-4-6-12(11)16/h2-6,8,10H,1,7,9H2,(H,17,21)(H,18,19,20)
InChIKeyDIPHAWFLYAVACV-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.14
Rot. Bonds6

About 6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide

6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109339637) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109339637
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(NCc2ccccc2F)ncn1
InChIInChI=1S/C15H15FN4O/c1-2-7-17-15(21)13-8-14(20-10-19-13)18-9-11-5-3-4-6-12(11)16/h2-6,8,10H,1,7,9H2,(H,17,21)(H,18,19,20)
InChIKeyDIPHAWFLYAVACV-UHFFFAOYSA-N
XLogP2.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.14
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

6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109338464
6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109348017
N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348071
N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348061
6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347632
6-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339651
N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338241
N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109339802
4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide
CID 60931867
N-(3-chloro-4-methylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348081
ethyl 4-[[6-[(2-fluorophenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109348113
5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223975

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide (CID 109339637) is 6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(NCc2ccccc2F)ncn1.
What is the InChIKey of 6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is DIPHAWFLYAVACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-2-7-17-15(21)13-8-14(20-10-19-13)18-9-11-5-3-4-6-12(11)16/h2-6,8,10H,1,7,9H2,(H,17,21)(H,18,19,20).
What are the key properties of 6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide?
6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109339637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).