4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine

C9H11Cl2FN2O — CID 116706694

IUPAC4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine
SMILESCOC(c1nc(Cl)c(F)c(Cl)n1)C(C)C
InChIInChI=1S/C9H11Cl2FN2O/c1-4(2)6(15-3)9-13-7(10)5(12)8(11)14-9/h4,6H,1-3H3
InChIKeyWLLCCXASFAMPKK-UHFFFAOYSA-N
MW253.10 g/mol
LogP3.27
Rot. Bonds3

About 4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine

4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine (PubChem CID 116706694) has the molecular formula C9H11Cl2FN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine
PubChem CID116706694
Molecular FormulaC9H11Cl2FN2O
Molecular Weight253.10 g/mol
Exact Mass252.02
IUPAC Name4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine
SMILESCOC(c1nc(Cl)c(F)c(Cl)n1)C(C)C
InChIInChI=1S/C9H11Cl2FN2O/c1-4(2)6(15-3)9-13-7(10)5(12)8(11)14-9/h4,6H,1-3H3
InChIKeyWLLCCXASFAMPKK-UHFFFAOYSA-N
XLogP3.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 53.27
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-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine (CID 116706694) is 4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine is COC(c1nc(Cl)c(F)c(Cl)n1)C(C)C.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine?
The InChIKey is WLLCCXASFAMPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2FN2O/c1-4(2)6(15-3)9-13-7(10)5(12)8(11)14-9/h4,6H,1-3H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine has a molecular weight of 253.10 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(1-methoxy-2-methylpropyl)pyrimidine is sourced from PubChem (CID 116706694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).