4-(oxan-4-yl)-2-(trifluoromethyl)pyrimidine

C10H11F3N2O — CID 116903712

IUPAC4-(oxan-4-yl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(C2CCOCC2)n1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9-14-4-1-8(15-9)7-2-5-16-6-3-7/h1,4,7H,2-3,5-6H2
InChIKeyATYPETULYPBYRB-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.39
Rot. Bonds1

About 4-(oxan-4-yl)-2-(trifluoromethyl)pyrimidine

4-(oxan-4-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 116903712) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 4-(oxan-4-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(oxan-4-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID116903712
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name4-(oxan-4-yl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(C2CCOCC2)n1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9-14-4-1-8(15-9)7-2-5-16-6-3-7/h1,4,7H,2-3,5-6H2
InChIKeyATYPETULYPBYRB-UHFFFAOYSA-N
XLogP2.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-4-(tetrahydro-2H-pyran-4-yl)-6-(trifluoromethyl)pyrimidine
CID 132564090
Isopropylmethyloxypyrimidin
CID 59058846
2-[4-(2-Ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56863286
N-(tetrahydro-2H-pyran-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56863545
{3-Ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]piperidin-3-YL}methanol
CID 56871761
N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56873098
4-(4,4-difluoropiperidin-1-yl)-6-[(3R)-oxolan-3-yl]pyrimidine
CID 126444168
4-(Piperidin-4-YL)-2-(trifluoromethyl)pyrimidine
CID 57355761
4-Tert-butyl-2-(1,1-difluoroethyl)pyrimidine
CID 58305922
4-Propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 58431341
4-(2-Methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 59379317
4-Propyl-2-(trifluoromethyl)pyrimidine
CID 70309281

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(oxan-4-yl)-2-(trifluoromethyl)pyrimidine (CID 116903712) is 4-(oxan-4-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(oxan-4-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(oxan-4-yl)-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nccc(C2CCOCC2)n1.
What is the InChIKey of 4-(oxan-4-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is ATYPETULYPBYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)9-14-4-1-8(15-9)7-2-5-16-6-3-7/h1,4,7H,2-3,5-6H2.
What are the key properties of 4-(oxan-4-yl)-2-(trifluoromethyl)pyrimidine?
4-(oxan-4-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 232.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 116903712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).