4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol

C10H15F3N4O — CID 169102811

IUPAC4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCNc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-9(2,18)3-4-15-7-6(10(11,12)13)5-16-8(14)17-7/h5,18H,3-4H2,1-2H3,(H3,14,15,16,17)
InChIKeyGWSDDFZFQPJFPW-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.65
Rot. Bonds4

About 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol

4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol (PubChem CID 169102811) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
PubChem CID169102811
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCNc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-9(2,18)3-4-15-7-6(10(11,12)13)5-16-8(14)17-7/h5,18H,3-4H2,1-2H3,(H3,14,15,16,17)
InChIKeyGWSDDFZFQPJFPW-UHFFFAOYSA-N
XLogP1.65
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol?
The IUPAC name of 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol (CID 169102811) is 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol is CC(C)(O)CCNc1nc(N)ncc1C(F)(F)F.
What is the InChIKey of 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol?
The InChIKey is GWSDDFZFQPJFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-9(2,18)3-4-15-7-6(10(11,12)13)5-16-8(14)17-7/h5,18H,3-4H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol?
4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol has a molecular weight of 264.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 169102811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).