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

C16H15Cl2FN2 — CID 79431894

IUPAC4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine
SMILESCC1CCC(c2nc(Cl)c(-c3ccc(F)cc3)c(Cl)n2)C1
InChIInChI=1S/C16H15Cl2FN2/c1-9-2-3-11(8-9)16-20-14(17)13(15(18)21-16)10-4-6-12(19)7-5-10/h4-7,9,11H,2-3,8H2,1H3
InChIKeyQMYCSAVFNPKSOM-UHFFFAOYSA-N
MW325.21 g/mol
LogP5.49
Rot. Bonds2

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

4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine (PubChem CID 79431894) has the molecular formula C16H15Cl2FN2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine
PubChem CID79431894
Molecular FormulaC16H15Cl2FN2
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine
SMILESCC1CCC(c2nc(Cl)c(-c3ccc(F)cc3)c(Cl)n2)C1
InChIInChI=1S/C16H15Cl2FN2/c1-9-2-3-11(8-9)16-20-14(17)13(15(18)21-16)10-4-6-12(19)7-5-10/h4-7,9,11H,2-3,8H2,1H3
InChIKeyQMYCSAVFNPKSOM-UHFFFAOYSA-N
XLogP5.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.21
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine (CID 79431894) is 4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine is CC1CCC(c2nc(Cl)c(-c3ccc(F)cc3)c(Cl)n2)C1.
What is the InChIKey of 4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine?
The InChIKey is QMYCSAVFNPKSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2/c1-9-2-3-11(8-9)16-20-14(17)13(15(18)21-16)10-4-6-12(19)7-5-10/h4-7,9,11H,2-3,8H2,1H3.
What are the key properties of 4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine?
4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine has a molecular weight of 325.21 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine is sourced from PubChem (CID 79431894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).