6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine

C14H16F3N3O — CID 174836774

IUPAC6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine
SMILESCC1=CC=NCN1Cc1cnc(OCC(F)(F)F)c(C)c1
InChIInChI=1S/C14H16F3N3O/c1-10-5-12(7-20-9-18-4-3-11(20)2)6-19-13(10)21-8-14(15,16)17/h3-6H,7-9H2,1-2H3
InChIKeyUMHGDSFVCTWJEZ-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.08
Rot. Bonds4

About 6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine

6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine (PubChem CID 174836774) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine.

Molecular Properties

Compound Name6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine
PubChem CID174836774
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine
SMILESCC1=CC=NCN1Cc1cnc(OCC(F)(F)F)c(C)c1
InChIInChI=1S/C14H16F3N3O/c1-10-5-12(7-20-9-18-4-3-11(20)2)6-19-13(10)21-8-14(15,16)17/h3-6H,7-9H2,1-2H3
InChIKeyUMHGDSFVCTWJEZ-UHFFFAOYSA-N
XLogP3.08
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine?
The IUPAC name of 6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine (CID 174836774) is 6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine.
What is the SMILES notation for 6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine?
The canonical SMILES for 6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine is CC1=CC=NCN1Cc1cnc(OCC(F)(F)F)c(C)c1.
What is the InChIKey of 6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine?
The InChIKey is UMHGDSFVCTWJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-10-5-12(7-20-9-18-4-3-11(20)2)6-19-13(10)21-8-14(15,16)17/h3-6H,7-9H2,1-2H3.
What are the key properties of 6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine?
6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine has a molecular weight of 299.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine is sourced from PubChem (CID 174836774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).