4,6-dichloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine

C13H11Cl2FN2 — CID 64758340

IUPAC4,6-dichloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine
SMILESCC(C)(c1ccc(F)cc1)c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C13H11Cl2FN2/c1-13(2,8-3-5-9(16)6-4-8)12-17-10(14)7-11(15)18-12/h3-7H,1-2H3
InChIKeyHWFSCGAMQYLOCD-UHFFFAOYSA-N
MW285.15 g/mol
LogP4.25
Rot. Bonds2

About 4,6-dichloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine

4,6-dichloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine (PubChem CID 64758340) has the molecular formula C13H11Cl2FN2 and a molecular weight of 285.15 g/mol. Its IUPAC name is 4,6-dichloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine
PubChem CID64758340
Molecular FormulaC13H11Cl2FN2
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name4,6-dichloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine
SMILESCC(C)(c1ccc(F)cc1)c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C13H11Cl2FN2/c1-13(2,8-3-5-9(16)6-4-8)12-17-10(14)7-11(15)18-12/h3-7H,1-2H3
InChIKeyHWFSCGAMQYLOCD-UHFFFAOYSA-N
XLogP4.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine?
The IUPAC name of 4,6-dichloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine (CID 64758340) is 4,6-dichloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine?
The canonical SMILES for 4,6-dichloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine is CC(C)(c1ccc(F)cc1)c1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine?
The InChIKey is HWFSCGAMQYLOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2/c1-13(2,8-3-5-9(16)6-4-8)12-17-10(14)7-11(15)18-12/h3-7H,1-2H3.
What are the key properties of 4,6-dichloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine?
4,6-dichloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine has a molecular weight of 285.15 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[2-(4-fluorophenyl)propan-2-yl]pyrimidine is sourced from PubChem (CID 64758340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).