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

C16H17FN4O — CID 109320251

IUPAC2-[(4-fluorophenyl)methylamino]-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(C)nc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN4O/c1-3-8-18-15(22)14-9-11(2)20-16(21-14)19-10-12-4-6-13(17)7-5-12/h3-7,9H,1,8,10H2,2H3,(H,18,22)(H,19,20,21)
InChIKeyZQGLRQBEFWSKPM-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.45
Rot. Bonds6

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

2-[(4-fluorophenyl)methylamino]-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109320251) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109320251
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name2-[(4-fluorophenyl)methylamino]-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(C)nc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN4O/c1-3-8-18-15(22)14-9-11(2)20-16(21-14)19-10-12-4-6-13(17)7-5-12/h3-7,9H,1,8,10H2,2H3,(H,18,22)(H,19,20,21)
InChIKeyZQGLRQBEFWSKPM-UHFFFAOYSA-N
XLogP2.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.45
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-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320072
N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328635
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328638
2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328770
2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109328692
N-[(4-chlorophenyl)methyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327781
2-(3,4-dichloroanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320398
2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320348
2-(2,5-dimethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328764
N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330867
2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328772
N-(2-cyanophenyl)-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328716

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide (CID 109320251) is 2-[(4-fluorophenyl)methylamino]-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(C)nc(NCc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is ZQGLRQBEFWSKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-3-8-18-15(22)14-9-11(2)20-16(21-14)19-10-12-4-6-13(17)7-5-12/h3-7,9H,1,8,10H2,2H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide?
2-[(4-fluorophenyl)methylamino]-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109320251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).