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

C10H11F6N3O2 — CID 102721566

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yloxypyrimidin-5-amine
SMILESCC(C)Oc1ncnc(OC(C(F)(F)F)C(F)(F)F)c1N
InChIInChI=1S/C10H11F6N3O2/c1-4(2)20-6-5(17)7(19-3-18-6)21-8(9(11,12)13)10(14,15)16/h3-4,8H,17H2,1-2H3
InChIKeyREJBJFPYGNWAIE-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.72
Rot. Bonds4

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

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yloxypyrimidin-5-amine (PubChem CID 102721566) has the molecular formula C10H11F6N3O2 and a molecular weight of 319.21 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yloxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yloxypyrimidin-5-amine
PubChem CID102721566
Molecular FormulaC10H11F6N3O2
Molecular Weight319.21 g/mol
Exact Mass319.08
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yloxypyrimidin-5-amine
SMILESCC(C)Oc1ncnc(OC(C(F)(F)F)C(F)(F)F)c1N
InChIInChI=1S/C10H11F6N3O2/c1-4(2)20-6-5(17)7(19-3-18-6)21-8(9(11,12)13)10(14,15)16/h3-4,8H,17H2,1-2H3
InChIKeyREJBJFPYGNWAIE-UHFFFAOYSA-N
XLogP2.72
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine
CID 102723634
4-chloro-6-propan-2-yloxypyrimidin-5-amine
CID 23477591
4-(2-cyclopropylethoxy)-6-propan-2-yloxypyrimidin-5-amine
CID 106199609
4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine
CID 81321704
4-(5-bromo-2,3-difluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine
CID 107097443
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-propan-2-yloxypyrimidin-5-amine
CID 102924624
4-propan-2-yloxy-6-quinolin-8-yloxypyrimidin-5-amine
CID 19141825
4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104591319
4-(4-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine
CID 19140358
N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine
CID 102723635
4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152519
4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine
CID 81058356

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yloxypyrimidin-5-amine?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yloxypyrimidin-5-amine (CID 102721566) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yloxypyrimidin-5-amine.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yloxypyrimidin-5-amine?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yloxypyrimidin-5-amine is CC(C)Oc1ncnc(OC(C(F)(F)F)C(F)(F)F)c1N.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yloxypyrimidin-5-amine?
The InChIKey is REJBJFPYGNWAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6N3O2/c1-4(2)20-6-5(17)7(19-3-18-6)21-8(9(11,12)13)10(14,15)16/h3-4,8H,17H2,1-2H3.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yloxypyrimidin-5-amine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yloxypyrimidin-5-amine has a molecular weight of 319.21 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-propan-2-yloxypyrimidin-5-amine is sourced from PubChem (CID 102721566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).