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

C8H7Cl2FN2 — CID 80550236

IUPAC4,6-dichloro-5-fluoro-2-(1-methylcyclopropyl)pyrimidine
SMILESCC1(c2nc(Cl)c(F)c(Cl)n2)CC1
InChIInChI=1S/C8H7Cl2FN2/c1-8(2-3-8)7-12-5(9)4(11)6(10)13-7/h2-3H2,1H3
InChIKeyYBUAOYDXHMLMAK-UHFFFAOYSA-N
MW221.06 g/mol
LogP2.97
Rot. Bonds1

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

4,6-dichloro-5-fluoro-2-(1-methylcyclopropyl)pyrimidine (PubChem CID 80550236) has the molecular formula C8H7Cl2FN2 and a molecular weight of 221.06 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(1-methylcyclopropyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(1-methylcyclopropyl)pyrimidine
PubChem CID80550236
Molecular FormulaC8H7Cl2FN2
Molecular Weight221.06 g/mol
Exact Mass220.00
IUPAC Name4,6-dichloro-5-fluoro-2-(1-methylcyclopropyl)pyrimidine
SMILESCC1(c2nc(Cl)c(F)c(Cl)n2)CC1
InChIInChI=1S/C8H7Cl2FN2/c1-8(2-3-8)7-12-5(9)4(11)6(10)13-7/h2-3H2,1H3
InChIKeyYBUAOYDXHMLMAK-UHFFFAOYSA-N
XLogP2.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.06
LogP ≤ 52.97
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-fluoro-2-(1-methylcyclopropyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(1-methylcyclopropyl)pyrimidine (CID 80550236) is 4,6-dichloro-5-fluoro-2-(1-methylcyclopropyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(1-methylcyclopropyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(1-methylcyclopropyl)pyrimidine is CC1(c2nc(Cl)c(F)c(Cl)n2)CC1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(1-methylcyclopropyl)pyrimidine?
The InChIKey is YBUAOYDXHMLMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FN2/c1-8(2-3-8)7-12-5(9)4(11)6(10)13-7/h2-3H2,1H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(1-methylcyclopropyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(1-methylcyclopropyl)pyrimidine has a molecular weight of 221.06 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(1-methylcyclopropyl)pyrimidine is sourced from PubChem (CID 80550236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).