4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine

C16H15F3N2O — CID 144632491

IUPAC4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1ncc(-c2cccc(C(F)(F)F)c2)c(OCC2CC2)n1
InChIInChI=1S/C16H15F3N2O/c1-10-20-8-14(15(21-10)22-9-11-5-6-11)12-3-2-4-13(7-12)16(17,18)19/h2-4,7-8,11H,5-6,9H2,1H3
InChIKeyLGRYHCWYZWNCSA-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.26
Rot. Bonds4

About 4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine

4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 144632491) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID144632491
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1ncc(-c2cccc(C(F)(F)F)c2)c(OCC2CC2)n1
InChIInChI=1S/C16H15F3N2O/c1-10-20-8-14(15(21-10)22-9-11-5-6-11)12-3-2-4-13(7-12)16(17,18)19/h2-4,7-8,11H,5-6,9H2,1H3
InChIKeyLGRYHCWYZWNCSA-UHFFFAOYSA-N
XLogP4.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]benzoic acid;3-methoxypyridine
CID 144632553
4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 69406899
cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 159585997
2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene
CID 71084107
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
6-methyl-2-(6-methyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 163857045
5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
5-amino-2-(cyclobutylmethoxy)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 67288754
6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091792
2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
CID 133089606
2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
CID 134620714
2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 119023762

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine (CID 144632491) is 4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine is Cc1ncc(-c2cccc(C(F)(F)F)c2)c(OCC2CC2)n1.
What is the InChIKey of 4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is LGRYHCWYZWNCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-10-20-8-14(15(21-10)22-9-11-5-6-11)12-3-2-4-13(7-12)16(17,18)19/h2-4,7-8,11H,5-6,9H2,1H3.
What are the key properties of 4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine?
4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 308.30 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 144632491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).