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

C15H13Cl2FN2O — CID 79431883

IUPAC4,6-dichloro-5-(4-fluorophenyl)-2-(oxan-3-yl)pyrimidine
SMILESFc1ccc(-c2c(Cl)nc(C3CCCOC3)nc2Cl)cc1
InChIInChI=1S/C15H13Cl2FN2O/c16-13-12(9-3-5-11(18)6-4-9)14(17)20-15(19-13)10-2-1-7-21-8-10/h3-6,10H,1-2,7-8H2
InChIKeyMOYRDBPTLYKFFQ-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.48
Rot. Bonds2

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

4,6-dichloro-5-(4-fluorophenyl)-2-(oxan-3-yl)pyrimidine (PubChem CID 79431883) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 4,6-dichloro-5-(4-fluorophenyl)-2-(oxan-3-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(4-fluorophenyl)-2-(oxan-3-yl)pyrimidine
PubChem CID79431883
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name4,6-dichloro-5-(4-fluorophenyl)-2-(oxan-3-yl)pyrimidine
SMILESFc1ccc(-c2c(Cl)nc(C3CCCOC3)nc2Cl)cc1
InChIInChI=1S/C15H13Cl2FN2O/c16-13-12(9-3-5-11(18)6-4-9)14(17)20-15(19-13)10-2-1-7-21-8-10/h3-6,10H,1-2,7-8H2
InChIKeyMOYRDBPTLYKFFQ-UHFFFAOYSA-N
XLogP4.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(4-fluorophenyl)-2-(oxan-3-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(4-fluorophenyl)-2-(oxan-3-yl)pyrimidine (CID 79431883) is 4,6-dichloro-5-(4-fluorophenyl)-2-(oxan-3-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(4-fluorophenyl)-2-(oxan-3-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(4-fluorophenyl)-2-(oxan-3-yl)pyrimidine is Fc1ccc(-c2c(Cl)nc(C3CCCOC3)nc2Cl)cc1.
What is the InChIKey of 4,6-dichloro-5-(4-fluorophenyl)-2-(oxan-3-yl)pyrimidine?
The InChIKey is MOYRDBPTLYKFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c16-13-12(9-3-5-11(18)6-4-9)14(17)20-15(19-13)10-2-1-7-21-8-10/h3-6,10H,1-2,7-8H2.
What are the key properties of 4,6-dichloro-5-(4-fluorophenyl)-2-(oxan-3-yl)pyrimidine?
4,6-dichloro-5-(4-fluorophenyl)-2-(oxan-3-yl)pyrimidine has a molecular weight of 327.19 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(4-fluorophenyl)-2-(oxan-3-yl)pyrimidine is sourced from PubChem (CID 79431883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).