4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine

C14H9Cl2FN4 — CID 79431922

IUPAC4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2nc(Cl)c(-c3cccc(F)c3)c(Cl)n2)cn1
InChIInChI=1S/C14H9Cl2FN4/c1-21-7-9(6-18-21)14-19-12(15)11(13(16)20-14)8-3-2-4-10(17)5-8/h2-7H,1H3
InChIKeyYMVYNJLJMQTSDG-UHFFFAOYSA-N
MW323.16 g/mol
LogP3.99
Rot. Bonds2

About 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine

4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 79431922) has the molecular formula C14H9Cl2FN4 and a molecular weight of 323.16 g/mol. Its IUPAC name is 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID79431922
Molecular FormulaC14H9Cl2FN4
Molecular Weight323.16 g/mol
Exact Mass322.02
IUPAC Name4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2nc(Cl)c(-c3cccc(F)c3)c(Cl)n2)cn1
InChIInChI=1S/C14H9Cl2FN4/c1-21-7-9(6-18-21)14-19-12(15)11(13(16)20-14)8-3-2-4-10(17)5-8/h2-7H,1H3
InChIKeyYMVYNJLJMQTSDG-UHFFFAOYSA-N
XLogP3.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine (CID 79431922) is 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine is Cn1cc(-c2nc(Cl)c(-c3cccc(F)c3)c(Cl)n2)cn1.
What is the InChIKey of 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is YMVYNJLJMQTSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN4/c1-21-7-9(6-18-21)14-19-12(15)11(13(16)20-14)8-3-2-4-10(17)5-8/h2-7H,1H3.
What are the key properties of 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine?
4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 323.16 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 79431922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).