N-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C18H16FN3O3 — CID 16815516

IUPACN-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2F)C(c2ccc(O)cc2)NC(=O)N1
InChIInChI=1S/C18H16FN3O3/c1-10-15(17(24)21-14-5-3-2-4-13(14)19)16(22-18(25)20-10)11-6-8-12(23)9-7-11/h2-9,16,23H,1H3,(H,21,24)(H2,20,22,25)
InChIKeyJRMTXOWRWCVGKZ-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.80
Rot. Bonds3

About N-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 16815516) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID16815516
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2F)C(c2ccc(O)cc2)NC(=O)N1
InChIInChI=1S/C18H16FN3O3/c1-10-15(17(24)21-14-5-3-2-4-13(14)19)16(22-18(25)20-10)11-6-8-12(23)9-7-11/h2-9,16,23H,1H3,(H,21,24)(H2,20,22,25)
InChIKeyJRMTXOWRWCVGKZ-UHFFFAOYSA-N
XLogP2.80
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 16815516) is N-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2F)C(c2ccc(O)cc2)NC(=O)N1.
What is the InChIKey of N-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is JRMTXOWRWCVGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-10-15(17(24)21-14-5-3-2-4-13(14)19)16(22-18(25)20-10)11-6-8-12(23)9-7-11/h2-9,16,23H,1H3,(H,21,24)(H2,20,22,25).
What are the key properties of N-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 16815516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).