4-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine

C10H11F3N2O — CID 126954441

IUPAC4-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCC(Oc1cc(C2CC2)ncn1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-6(10(11,12)13)16-9-4-8(7-2-3-7)14-5-15-9/h4-7H,2-3H2,1H3
InChIKeyAMOVNSPOBKRURZ-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.68
Rot. Bonds3

About 4-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine

4-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (PubChem CID 126954441) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 4-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
PubChem CID126954441
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name4-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCC(Oc1cc(C2CC2)ncn1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-6(10(11,12)13)16-9-4-8(7-2-3-7)14-5-15-9/h4-7H,2-3H2,1H3
InChIKeyAMOVNSPOBKRURZ-UHFFFAOYSA-N
XLogP2.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80877295
4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide
CID 178036134
3-(difluoromethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclobutane-1-carboxamide
CID 178036078
4-cyclopropyl-6-(thiolan-3-yloxy)pyrimidine
CID 126954439
2-(6-cyclopropylpyrimidin-4-yl)propan-1-amine
CID 83874762
3-(trifluoromethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 178036106
4,6-dicyclopentylpyrimidine
CID 71817735
N-butan-2-yl-6-cyclobutylpyrimidin-4-amine
CID 126848123
4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 74237104
6-cyclopropylpyrimidin-4-amine
CID 45080491
ethane;1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methyl]urea
CID 171787486
1-N-(6-cyclopropylpyrimidin-4-yl)propane-1,2-diamine
CID 83830261

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The IUPAC name of 4-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (CID 126954441) is 4-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is CC(Oc1cc(C2CC2)ncn1)C(F)(F)F.
What is the InChIKey of 4-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The InChIKey is AMOVNSPOBKRURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-6(10(11,12)13)16-9-4-8(7-2-3-7)14-5-15-9/h4-7H,2-3H2,1H3.
What are the key properties of 4-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
4-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine has a molecular weight of 232.20 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is sourced from PubChem (CID 126954441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).