5-cyano-4-(3,5-difluorophenyl)-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide

C15H14F2N4O2 — CID 91590024

IUPAC5-cyano-4-(3,5-difluorophenyl)-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide
SMILESCCNC(=O)N1C(=O)N=C(C)C(C#N)C1c1cc(F)cc(F)c1
InChIInChI=1S/C15H14F2N4O2/c1-3-19-14(22)21-13(9-4-10(16)6-11(17)5-9)12(7-18)8(2)20-15(21)23/h4-6,12-13H,3H2,1-2H3,(H,19,22)
InChIKeyMOHCKMOBVWULLN-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.77
Rot. Bonds2

About 5-cyano-4-(3,5-difluorophenyl)-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide

5-cyano-4-(3,5-difluorophenyl)-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide (PubChem CID 91590024) has the molecular formula C15H14F2N4O2 and a molecular weight of 320.30 g/mol. Its IUPAC name is 5-cyano-4-(3,5-difluorophenyl)-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-4-(3,5-difluorophenyl)-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide
PubChem CID91590024
Molecular FormulaC15H14F2N4O2
Molecular Weight320.30 g/mol
Exact Mass320.11
IUPAC Name5-cyano-4-(3,5-difluorophenyl)-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide
SMILESCCNC(=O)N1C(=O)N=C(C)C(C#N)C1c1cc(F)cc(F)c1
InChIInChI=1S/C15H14F2N4O2/c1-3-19-14(22)21-13(9-4-10(16)6-11(17)5-9)12(7-18)8(2)20-15(21)23/h4-6,12-13H,3H2,1-2H3,(H,19,22)
InChIKeyMOHCKMOBVWULLN-UHFFFAOYSA-N
XLogP2.77
TPSA85.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-(3,5-difluorophenyl)-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide?
The IUPAC name of 5-cyano-4-(3,5-difluorophenyl)-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide (CID 91590024) is 5-cyano-4-(3,5-difluorophenyl)-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyano-4-(3,5-difluorophenyl)-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide?
The canonical SMILES for 5-cyano-4-(3,5-difluorophenyl)-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide is CCNC(=O)N1C(=O)N=C(C)C(C#N)C1c1cc(F)cc(F)c1.
What is the InChIKey of 5-cyano-4-(3,5-difluorophenyl)-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide?
The InChIKey is MOHCKMOBVWULLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O2/c1-3-19-14(22)21-13(9-4-10(16)6-11(17)5-9)12(7-18)8(2)20-15(21)23/h4-6,12-13H,3H2,1-2H3,(H,19,22).
What are the key properties of 5-cyano-4-(3,5-difluorophenyl)-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide?
5-cyano-4-(3,5-difluorophenyl)-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide has a molecular weight of 320.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-4-(3,5-difluorophenyl)-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide is sourced from PubChem (CID 91590024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).