6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine

C8H7F6N3O2 — CID 102723634

IUPAC6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine
SMILESCOc1c(N)ncnc1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6N3O2/c1-18-3-4(15)16-2-17-5(3)19-6(7(9,10)11)8(12,13)14/h2,6H,1H3,(H2,15,16,17)
InChIKeyCDRXWQTVEUEEDW-UHFFFAOYSA-N
MW291.15 g/mol
LogP1.94
Rot. Bonds3

About 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine

6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine (PubChem CID 102723634) has the molecular formula C8H7F6N3O2 and a molecular weight of 291.15 g/mol. Its IUPAC name is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine
PubChem CID102723634
Molecular FormulaC8H7F6N3O2
Molecular Weight291.15 g/mol
Exact Mass291.04
IUPAC Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine
SMILESCOc1c(N)ncnc1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6N3O2/c1-18-3-4(15)16-2-17-5(3)19-6(7(9,10)11)8(12,13)14/h2,6H,1H3,(H2,15,16,17)
InChIKeyCDRXWQTVEUEEDW-UHFFFAOYSA-N
XLogP1.94
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine
CID 102723635
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yloxypyrimidin-5-amine
CID 102721566
6-(2-cyclobutylethoxy)-5-methoxypyrimidin-4-amine
CID 106207794
5-methoxy-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296253
6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine
CID 107102826
6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine
CID 107727388
5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
CID 106219502
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 102722365
5-methoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116806629
6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine
CID 82717490
4-amino-6-methoxypyrimidin-5-ol
CID 171035604
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,5-dimethoxyaniline
CID 102721644

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine?
The IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine (CID 102723634) is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine.
What is the SMILES notation for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine?
The canonical SMILES for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine is COc1c(N)ncnc1OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine?
The InChIKey is CDRXWQTVEUEEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N3O2/c1-18-3-4(15)16-2-17-5(3)19-6(7(9,10)11)8(12,13)14/h2,6H,1H3,(H2,15,16,17).
What are the key properties of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine?
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine has a molecular weight of 291.15 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 102723634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).