4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C20H12Cl2F2N4O2 — CID 160836213

IUPAC4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESFc1ccc(-c2nc(Cl)cc(Cl)n2)cc1.O=c1cc(O)nc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C10H5Cl2FN2.C10H7FN2O2/c11-8-5-9(12)15-10(14-8)6-1-3-7(13)4-2-6;11-7-3-1-6(2-4-7)10-12-8(14)5-9(15)13-10/h1-5H;1-5H,(H2,12,13,14,15)
InChIKeySHLCWLHHENTEQB-UHFFFAOYSA-N
MW449.24 g/mol
LogP4.87
Rot. Bonds2

About 4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 160836213) has the molecular formula C20H12Cl2F2N4O2 and a molecular weight of 449.24 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID160836213
Molecular FormulaC20H12Cl2F2N4O2
Molecular Weight449.24 g/mol
Exact Mass448.03
IUPAC Name4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESFc1ccc(-c2nc(Cl)cc(Cl)n2)cc1.O=c1cc(O)nc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C10H5Cl2FN2.C10H7FN2O2/c11-8-5-9(12)15-10(14-8)6-1-3-7(13)4-2-6;11-7-3-1-6(2-4-7)10-12-8(14)5-9(15)13-10/h1-5H;1-5H,(H2,12,13,14,15)
InChIKeySHLCWLHHENTEQB-UHFFFAOYSA-N
XLogP4.87
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.24
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 63613424
4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one
CID 63612263
2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 82476781
2-(2-bromo-4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 107281013
2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 135629608
4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one
CID 67282370
4-chloro-2-(4-fluorophenyl)-6-methylpyrimidine
CID 23362081
2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 67281704
4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine
CID 43557554
4,6-dichloro-2-(4-chlorophenyl)pyrimidine
CID 22353517
2-(chloromethyl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 137119593
2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135794340

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 160836213) is 4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is Fc1ccc(-c2nc(Cl)cc(Cl)n2)cc1.O=c1cc(O)nc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is SHLCWLHHENTEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2FN2.C10H7FN2O2/c11-8-5-9(12)15-10(14-8)6-1-3-7(13)4-2-6;11-7-3-1-6(2-4-7)10-12-8(14)5-9(15)13-10/h1-5H;1-5H,(H2,12,13,14,15).
What are the key properties of 4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 449.24 g/mol, XLogP of 4.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 160836213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).