4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine

C16H9ClF2N2 — CID 115915006

IUPAC4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine
SMILESFc1ccc(-c2cc(Cl)nc(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C16H9ClF2N2/c17-15-9-14(12-7-6-11(18)8-13(12)19)20-16(21-15)10-4-2-1-3-5-10/h1-9H
InChIKeyQPVXFZCCNZQUNQ-UHFFFAOYSA-N
MW302.71 g/mol
LogP4.74
Rot. Bonds2

About 4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine

4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine (PubChem CID 115915006) has the molecular formula C16H9ClF2N2 and a molecular weight of 302.71 g/mol. Its IUPAC name is 4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine
PubChem CID115915006
Molecular FormulaC16H9ClF2N2
Molecular Weight302.71 g/mol
Exact Mass302.04
IUPAC Name4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine
SMILESFc1ccc(-c2cc(Cl)nc(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C16H9ClF2N2/c17-15-9-14(12-7-6-11(18)8-13(12)19)20-16(21-15)10-4-2-1-3-5-10/h1-9H
InChIKeyQPVXFZCCNZQUNQ-UHFFFAOYSA-N
XLogP4.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine
CID 138569840
4-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 172796128
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
4-(2,4-difluorophenyl)-2,6-diphenylpyridine
CID 102527083
4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine
CID 118641062
4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 118641046
4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine
CID 115914999
4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
CID 146632020
2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine
CID 82790034
4-chloro-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 146868776
2-(2,5-difluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 142748845

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine?
The IUPAC name of 4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine (CID 115915006) is 4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine is Fc1ccc(-c2cc(Cl)nc(-c3ccccc3)n2)c(F)c1.
What is the InChIKey of 4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine?
The InChIKey is QPVXFZCCNZQUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N2/c17-15-9-14(12-7-6-11(18)8-13(12)19)20-16(21-15)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine?
4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine has a molecular weight of 302.71 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-difluorophenyl)-2-phenylpyrimidine is sourced from PubChem (CID 115915006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).