4-propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine

C12H17F3N4O2 — CID 56874671

IUPAC4-propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
SMILESCC(C)Oc1cc(N2CCOC(C(F)(F)F)C2)nc(N)n1
InChIInChI=1S/C12H17F3N4O2/c1-7(2)21-10-5-9(17-11(16)18-10)19-3-4-20-8(6-19)12(13,14)15/h5,7-8H,3-4,6H2,1-2H3,(H2,16,17,18)
InChIKeyAAJMBSXRQCYXHK-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.61
Rot. Bonds3

About 4-propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine

4-propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine (PubChem CID 56874671) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 4-propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
PubChem CID56874671
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Name4-propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
SMILESCC(C)Oc1cc(N2CCOC(C(F)(F)F)C2)nc(N)n1
InChIInChI=1S/C12H17F3N4O2/c1-7(2)21-10-5-9(17-11(16)18-10)19-3-4-20-8(6-19)12(13,14)15/h5,7-8H,3-4,6H2,1-2H3,(H2,16,17,18)
InChIKeyAAJMBSXRQCYXHK-UHFFFAOYSA-N
XLogP1.61
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine (CID 56874671) is 4-propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine is CC(C)Oc1cc(N2CCOC(C(F)(F)F)C2)nc(N)n1.
What is the InChIKey of 4-propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine?
The InChIKey is AAJMBSXRQCYXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-7(2)21-10-5-9(17-11(16)18-10)19-3-4-20-8(6-19)12(13,14)15/h5,7-8H,3-4,6H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine?
4-propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine has a molecular weight of 306.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 56874671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).