4,6-dichloro-5-propyl-2-(2,2,2-trifluoroethyl)pyrimidine

C9H9Cl2F3N2 — CID 63611996

IUPAC4,6-dichloro-5-propyl-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCCCc1c(Cl)nc(CC(F)(F)F)nc1Cl
InChIInChI=1S/C9H9Cl2F3N2/c1-2-3-5-7(10)15-6(16-8(5)11)4-9(12,13)14/h2-4H2,1H3
InChIKeyIMVYXLCXEQYDIS-UHFFFAOYSA-N
MW273.08 g/mol
LogP3.84
Rot. Bonds3

About 4,6-dichloro-5-propyl-2-(2,2,2-trifluoroethyl)pyrimidine

4,6-dichloro-5-propyl-2-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 63611996) has the molecular formula C9H9Cl2F3N2 and a molecular weight of 273.08 g/mol. Its IUPAC name is 4,6-dichloro-5-propyl-2-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-propyl-2-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID63611996
Molecular FormulaC9H9Cl2F3N2
Molecular Weight273.08 g/mol
Exact Mass272.01
IUPAC Name4,6-dichloro-5-propyl-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCCCc1c(Cl)nc(CC(F)(F)F)nc1Cl
InChIInChI=1S/C9H9Cl2F3N2/c1-2-3-5-7(10)15-6(16-8(5)11)4-9(12,13)14/h2-4H2,1H3
InChIKeyIMVYXLCXEQYDIS-UHFFFAOYSA-N
XLogP3.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 53.84
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-propyl-2-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-propyl-2-(2,2,2-trifluoroethyl)pyrimidine (CID 63611996) is 4,6-dichloro-5-propyl-2-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-propyl-2-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-propyl-2-(2,2,2-trifluoroethyl)pyrimidine is CCCc1c(Cl)nc(CC(F)(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-propyl-2-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is IMVYXLCXEQYDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F3N2/c1-2-3-5-7(10)15-6(16-8(5)11)4-9(12,13)14/h2-4H2,1H3.
What are the key properties of 4,6-dichloro-5-propyl-2-(2,2,2-trifluoroethyl)pyrimidine?
4,6-dichloro-5-propyl-2-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 273.08 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-propyl-2-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 63611996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).