5-chloro-4-ethyl-6-(3,3,3-trifluoropropyl)pyrimidine

C9H10ClF3N2 — CID 174821847

IUPAC5-chloro-4-ethyl-6-(3,3,3-trifluoropropyl)pyrimidine
SMILESCCc1ncnc(CCC(F)(F)F)c1Cl
InChIInChI=1S/C9H10ClF3N2/c1-2-6-8(10)7(15-5-14-6)3-4-9(11,12)13/h5H,2-4H2,1H3
InChIKeyNDEPQDBWDHFUJW-UHFFFAOYSA-N
MW238.64 g/mol
LogP3.19
Rot. Bonds3

About 5-chloro-4-ethyl-6-(3,3,3-trifluoropropyl)pyrimidine

5-chloro-4-ethyl-6-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 174821847) has the molecular formula C9H10ClF3N2 and a molecular weight of 238.64 g/mol. Its IUPAC name is 5-chloro-4-ethyl-6-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-ethyl-6-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID174821847
Molecular FormulaC9H10ClF3N2
Molecular Weight238.64 g/mol
Exact Mass238.05
IUPAC Name5-chloro-4-ethyl-6-(3,3,3-trifluoropropyl)pyrimidine
SMILESCCc1ncnc(CCC(F)(F)F)c1Cl
InChIInChI=1S/C9H10ClF3N2/c1-2-6-8(10)7(15-5-14-6)3-4-9(11,12)13/h5H,2-4H2,1H3
InChIKeyNDEPQDBWDHFUJW-UHFFFAOYSA-N
XLogP3.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethyl-6-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 5-chloro-4-ethyl-6-(3,3,3-trifluoropropyl)pyrimidine (CID 174821847) is 5-chloro-4-ethyl-6-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 5-chloro-4-ethyl-6-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 5-chloro-4-ethyl-6-(3,3,3-trifluoropropyl)pyrimidine is CCc1ncnc(CCC(F)(F)F)c1Cl.
What is the InChIKey of 5-chloro-4-ethyl-6-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is NDEPQDBWDHFUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2/c1-2-6-8(10)7(15-5-14-6)3-4-9(11,12)13/h5H,2-4H2,1H3.
What are the key properties of 5-chloro-4-ethyl-6-(3,3,3-trifluoropropyl)pyrimidine?
5-chloro-4-ethyl-6-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 238.64 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethyl-6-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 174821847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).