4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine

C14H10ClFN4 — CID 106715379

IUPAC4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cc(Cl)nc(-c3ccc(F)cc3)n2)cn1
InChIInChI=1S/C14H10ClFN4/c1-20-8-10(7-17-20)12-6-13(15)19-14(18-12)9-2-4-11(16)5-3-9/h2-8H,1H3
InChIKeyCPDSTTGWWXKVAP-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.34
Rot. Bonds2

About 4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine

4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 106715379) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID106715379
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cc(Cl)nc(-c3ccc(F)cc3)n2)cn1
InChIInChI=1S/C14H10ClFN4/c1-20-8-10(7-17-20)12-6-13(15)19-14(18-12)9-2-4-11(16)5-3-9/h2-8H,1H3
InChIKeyCPDSTTGWWXKVAP-UHFFFAOYSA-N
XLogP3.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
CID 43557664
4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine
CID 106715293
4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715392
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 107925460
4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715433
2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106886214
4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715304
4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715389
4-chloro-2-(4-fluorophenyl)-6-methylpyrimidine
CID 23362081
4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
CID 80945558
4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715353
1-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]azepane
CID 106715363

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine (CID 106715379) is 4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine is Cn1cc(-c2cc(Cl)nc(-c3ccc(F)cc3)n2)cn1.
What is the InChIKey of 4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is CPDSTTGWWXKVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c1-20-8-10(7-17-20)12-6-13(15)19-14(18-12)9-2-4-11(16)5-3-9/h2-8H,1H3.
What are the key properties of 4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 288.71 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 106715379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).