[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol

C12H17F3N4O2 — CID 106773315

IUPAC[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2cc(N)nc(C(F)(F)F)n2)CC(CO)O1
InChIInChI=1S/C12H17F3N4O2/c1-11(2)6-19(4-7(5-20)21-11)9-3-8(16)17-10(18-9)12(13,14)15/h3,7,20H,4-6H2,1-2H3,(H2,16,17,18)
InChIKeyWSQGHSIBCZSCJS-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.05
Rot. Bonds2

About [4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 106773315) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is [4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID106773315
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Name[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2cc(N)nc(C(F)(F)F)n2)CC(CO)O1
InChIInChI=1S/C12H17F3N4O2/c1-11(2)6-19(4-7(5-20)21-11)9-3-8(16)17-10(18-9)12(13,14)15/h3,7,20H,4-6H2,1-2H3,(H2,16,17,18)
InChIKeyWSQGHSIBCZSCJS-UHFFFAOYSA-N
XLogP1.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol (CID 106773315) is [4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(c2cc(N)nc(C(F)(F)F)n2)CC(CO)O1.
What is the InChIKey of [4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is WSQGHSIBCZSCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-11(2)6-19(4-7(5-20)21-11)9-3-8(16)17-10(18-9)12(13,14)15/h3,7,20H,4-6H2,1-2H3,(H2,16,17,18).
What are the key properties of [4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 306.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 106773315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).