1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol

C10H15F3N4O — CID 114565428

IUPAC1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C10H15F3N4O/c1-9(2,18)5-17(3)7-4-6(10(11,12)13)15-8(14)16-7/h4,18H,5H2,1-3H3,(H2,14,15,16)
InChIKeyWRZPAPICLWCVDA-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.28
Rot. Bonds3

About 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol

1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol (PubChem CID 114565428) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
PubChem CID114565428
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C10H15F3N4O/c1-9(2,18)5-17(3)7-4-6(10(11,12)13)15-8(14)16-7/h4,18H,5H2,1-3H3,(H2,14,15,16)
InChIKeyWRZPAPICLWCVDA-UHFFFAOYSA-N
XLogP1.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol (CID 114565428) is 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is WRZPAPICLWCVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-9(2,18)5-17(3)7-4-6(10(11,12)13)15-8(14)16-7/h4,18H,5H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 264.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 114565428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).