4,6-dichloro-5-propyl-2-(3,3,3-trifluoropropyl)pyrimidine

C10H11Cl2F3N2 — CID 79952984

IUPAC4,6-dichloro-5-propyl-2-(3,3,3-trifluoropropyl)pyrimidine
SMILESCCCc1c(Cl)nc(CCC(F)(F)F)nc1Cl
InChIInChI=1S/C10H11Cl2F3N2/c1-2-3-6-8(11)16-7(17-9(6)12)4-5-10(13,14)15/h2-5H2,1H3
InChIKeyHTLDRAKJHAGMFM-UHFFFAOYSA-N
MW287.11 g/mol
LogP4.23
Rot. Bonds4

About 4,6-dichloro-5-propyl-2-(3,3,3-trifluoropropyl)pyrimidine

4,6-dichloro-5-propyl-2-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 79952984) has the molecular formula C10H11Cl2F3N2 and a molecular weight of 287.11 g/mol. Its IUPAC name is 4,6-dichloro-5-propyl-2-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-propyl-2-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID79952984
Molecular FormulaC10H11Cl2F3N2
Molecular Weight287.11 g/mol
Exact Mass286.03
IUPAC Name4,6-dichloro-5-propyl-2-(3,3,3-trifluoropropyl)pyrimidine
SMILESCCCc1c(Cl)nc(CCC(F)(F)F)nc1Cl
InChIInChI=1S/C10H11Cl2F3N2/c1-2-3-6-8(11)16-7(17-9(6)12)4-5-10(13,14)15/h2-5H2,1H3
InChIKeyHTLDRAKJHAGMFM-UHFFFAOYSA-N
XLogP4.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 54.23
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-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-propyl-2-(3,3,3-trifluoropropyl)pyrimidine (CID 79952984) is 4,6-dichloro-5-propyl-2-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-propyl-2-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-propyl-2-(3,3,3-trifluoropropyl)pyrimidine is CCCc1c(Cl)nc(CCC(F)(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-propyl-2-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is HTLDRAKJHAGMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2F3N2/c1-2-3-6-8(11)16-7(17-9(6)12)4-5-10(13,14)15/h2-5H2,1H3.
What are the key properties of 4,6-dichloro-5-propyl-2-(3,3,3-trifluoropropyl)pyrimidine?
4,6-dichloro-5-propyl-2-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 287.11 g/mol, XLogP of 4.23, 4 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-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 79952984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).