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

C15H17F2N3O2 — CID 91452207

IUPAC4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-propyl-4,5-dihydropyrimidine-3-carboxamide
SMILESCCCNC(=O)N1C(=O)N=C(C)CC1c1ccc(F)c(F)c1
InChIInChI=1S/C15H17F2N3O2/c1-3-6-18-14(21)20-13(7-9(2)19-15(20)22)10-4-5-11(16)12(17)8-10/h4-5,8,13H,3,6-7H2,1-2H3,(H,18,21)
InChIKeyFQKKAMNWZPYGMI-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.41
Rot. Bonds3

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

4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-propyl-4,5-dihydropyrimidine-3-carboxamide (PubChem CID 91452207) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-propyl-4,5-dihydropyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-propyl-4,5-dihydropyrimidine-3-carboxamide
PubChem CID91452207
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-propyl-4,5-dihydropyrimidine-3-carboxamide
SMILESCCCNC(=O)N1C(=O)N=C(C)CC1c1ccc(F)c(F)c1
InChIInChI=1S/C15H17F2N3O2/c1-3-6-18-14(21)20-13(7-9(2)19-15(20)22)10-4-5-11(16)12(17)8-10/h4-5,8,13H,3,6-7H2,1-2H3,(H,18,21)
InChIKeyFQKKAMNWZPYGMI-UHFFFAOYSA-N
XLogP3.41
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-propyl-4,5-dihydropyrimidine-3-carboxamide?
The IUPAC name of 4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-propyl-4,5-dihydropyrimidine-3-carboxamide (CID 91452207) is 4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-propyl-4,5-dihydropyrimidine-3-carboxamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-propyl-4,5-dihydropyrimidine-3-carboxamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-propyl-4,5-dihydropyrimidine-3-carboxamide is CCCNC(=O)N1C(=O)N=C(C)CC1c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-propyl-4,5-dihydropyrimidine-3-carboxamide?
The InChIKey is FQKKAMNWZPYGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-3-6-18-14(21)20-13(7-9(2)19-15(20)22)10-4-5-11(16)12(17)8-10/h4-5,8,13H,3,6-7H2,1-2H3,(H,18,21).
What are the key properties of 4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-propyl-4,5-dihydropyrimidine-3-carboxamide?
4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-propyl-4,5-dihydropyrimidine-3-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-6-methyl-2-oxo-N-propyl-4,5-dihydropyrimidine-3-carboxamide is sourced from PubChem (CID 91452207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).