4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine

C11H10ClF3N4O — CID 106715359

IUPAC4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
SMILESCn1cc(-c2cc(Cl)nc(COCC(F)(F)F)n2)cn1
InChIInChI=1S/C11H10ClF3N4O/c1-19-4-7(3-16-19)8-2-9(12)18-10(17-8)5-20-6-11(13,14)15/h2-4H,5-6H2,1H3
InChIKeySJPWZFUZSOTRFK-UHFFFAOYSA-N
MW306.68 g/mol
LogP2.61
Rot. Bonds4

About 4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine

4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine (PubChem CID 106715359) has the molecular formula C11H10ClF3N4O and a molecular weight of 306.68 g/mol. Its IUPAC name is 4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
PubChem CID106715359
Molecular FormulaC11H10ClF3N4O
Molecular Weight306.68 g/mol
Exact Mass306.05
IUPAC Name4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
SMILESCn1cc(-c2cc(Cl)nc(COCC(F)(F)F)n2)cn1
InChIInChI=1S/C11H10ClF3N4O/c1-19-4-7(3-16-19)8-2-9(12)18-10(17-8)5-20-6-11(13,14)15/h2-4H,5-6H2,1H3
InChIKeySJPWZFUZSOTRFK-UHFFFAOYSA-N
XLogP2.61
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine (CID 106715359) is 4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine is Cn1cc(-c2cc(Cl)nc(COCC(F)(F)F)n2)cn1.
What is the InChIKey of 4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The InChIKey is SJPWZFUZSOTRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O/c1-19-4-7(3-16-19)8-2-9(12)18-10(17-8)5-20-6-11(13,14)15/h2-4H,5-6H2,1H3.
What are the key properties of 4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine has a molecular weight of 306.68 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine is sourced from PubChem (CID 106715359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).