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

C10H11F6N3O2 — CID 102723635

IUPACN-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine
SMILESCCNc1ncnc(OC(C(F)(F)F)C(F)(F)F)c1OC
InChIInChI=1S/C10H11F6N3O2/c1-3-17-6-5(20-2)7(19-4-18-6)21-8(9(11,12)13)10(14,15)16/h4,8H,3H2,1-2H3,(H,17,18,19)
InChIKeyLCKRURCRRDEWPS-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.79
Rot. Bonds5

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

N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine (PubChem CID 102723635) has the molecular formula C10H11F6N3O2 and a molecular weight of 319.21 g/mol. Its IUPAC name is N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine
PubChem CID102723635
Molecular FormulaC10H11F6N3O2
Molecular Weight319.21 g/mol
Exact Mass319.08
IUPAC NameN-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine
SMILESCCNc1ncnc(OC(C(F)(F)F)C(F)(F)F)c1OC
InChIInChI=1S/C10H11F6N3O2/c1-3-17-6-5(20-2)7(19-4-18-6)21-8(9(11,12)13)10(14,15)16/h4,8H,3H2,1-2H3,(H,17,18,19)
InChIKeyLCKRURCRRDEWPS-UHFFFAOYSA-N
XLogP2.79
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine (CID 102723635) is N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine is CCNc1ncnc(OC(C(F)(F)F)C(F)(F)F)c1OC.
What is the InChIKey of N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine?
The InChIKey is LCKRURCRRDEWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6N3O2/c1-3-17-6-5(20-2)7(19-4-18-6)21-8(9(11,12)13)10(14,15)16/h4,8H,3H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine?
N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine has a molecular weight of 319.21 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 102723635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).