N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide

C17H19FN4O — CID 109320072

IUPACN-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1nc(C)cc(C(=O)NCCc2ccc(F)cc2)n1
InChIInChI=1S/C17H19FN4O/c1-3-9-20-17-21-12(2)11-15(22-17)16(23)19-10-8-13-4-6-14(18)7-5-13/h3-7,11H,1,8-10H2,2H3,(H,19,23)(H,20,21,22)
InChIKeyDJYTWZWNKMKKMP-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.49
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide

N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide (PubChem CID 109320072) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
PubChem CID109320072
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1nc(C)cc(C(=O)NCCc2ccc(F)cc2)n1
InChIInChI=1S/C17H19FN4O/c1-3-9-20-17-21-12(2)11-15(22-17)16(23)19-10-8-13-4-6-14(18)7-5-13/h3-7,11H,1,8-10H2,2H3,(H,19,23)(H,20,21,22)
InChIKeyDJYTWZWNKMKKMP-UHFFFAOYSA-N
XLogP2.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.49
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]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328635
2-[(4-fluorophenyl)methylamino]-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320251
N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330867
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328638
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330734
2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109330842
2-[2-(4-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329169
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327800
2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296149
6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320119
2-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330861
N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320128

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide (CID 109320072) is N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide is C=CCNc1nc(C)cc(C(=O)NCCc2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
The InChIKey is DJYTWZWNKMKKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-3-9-20-17-21-12(2)11-15(22-17)16(23)19-10-8-13-4-6-14(18)7-5-13/h3-7,11H,1,8-10H2,2H3,(H,19,23)(H,20,21,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109320072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).