4,6-dichloro-5-fluoro-2-(2-methyloxan-2-yl)pyrimidine

C10H11Cl2FN2O — CID 80691378

IUPAC4,6-dichloro-5-fluoro-2-(2-methyloxan-2-yl)pyrimidine
SMILESCC1(c2nc(Cl)c(F)c(Cl)n2)CCCCO1
InChIInChI=1S/C10H11Cl2FN2O/c1-10(4-2-3-5-16-10)9-14-7(11)6(13)8(12)15-9/h2-5H2,1H3
InChIKeyXRCOVOYXWGZDPN-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.34
Rot. Bonds1

About 4,6-dichloro-5-fluoro-2-(2-methyloxan-2-yl)pyrimidine

4,6-dichloro-5-fluoro-2-(2-methyloxan-2-yl)pyrimidine (PubChem CID 80691378) has the molecular formula C10H11Cl2FN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(2-methyloxan-2-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(2-methyloxan-2-yl)pyrimidine
PubChem CID80691378
Molecular FormulaC10H11Cl2FN2O
Molecular Weight265.11 g/mol
Exact Mass264.02
IUPAC Name4,6-dichloro-5-fluoro-2-(2-methyloxan-2-yl)pyrimidine
SMILESCC1(c2nc(Cl)c(F)c(Cl)n2)CCCCO1
InChIInChI=1S/C10H11Cl2FN2O/c1-10(4-2-3-5-16-10)9-14-7(11)6(13)8(12)15-9/h2-5H2,1H3
InChIKeyXRCOVOYXWGZDPN-UHFFFAOYSA-N
XLogP3.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 53.34
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-(2-methyloxan-2-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(2-methyloxan-2-yl)pyrimidine (CID 80691378) is 4,6-dichloro-5-fluoro-2-(2-methyloxan-2-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(2-methyloxan-2-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(2-methyloxan-2-yl)pyrimidine is CC1(c2nc(Cl)c(F)c(Cl)n2)CCCCO1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(2-methyloxan-2-yl)pyrimidine?
The InChIKey is XRCOVOYXWGZDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FN2O/c1-10(4-2-3-5-16-10)9-14-7(11)6(13)8(12)15-9/h2-5H2,1H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(2-methyloxan-2-yl)pyrimidine?
4,6-dichloro-5-fluoro-2-(2-methyloxan-2-yl)pyrimidine has a molecular weight of 265.11 g/mol, XLogP of 3.34, 1 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-(2-methyloxan-2-yl)pyrimidine is sourced from PubChem (CID 80691378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).