3-[(6-aminopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol

C7H9F3N4O — CID 103646052

IUPAC3-[(6-aminopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESNc1cc(NCC(O)C(F)(F)F)ncn1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)4(15)2-12-6-1-5(11)13-3-14-6/h1,3-4,15H,2H2,(H3,11,12,13,14)
InChIKeyYCUIVGGYCOCNPD-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.39
Rot. Bonds3

About 3-[(6-aminopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol

3-[(6-aminopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103646052) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 3-[(6-aminopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(6-aminopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID103646052
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name3-[(6-aminopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESNc1cc(NCC(O)C(F)(F)F)ncn1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)4(15)2-12-6-1-5(11)13-3-14-6/h1,3-4,15H,2H2,(H3,11,12,13,14)
InChIKeyYCUIVGGYCOCNPD-UHFFFAOYSA-N
XLogP0.39
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(6-aminopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-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 3-[(6-aminopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(6-aminopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 103646052) is 3-[(6-aminopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(6-aminopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(6-aminopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol is Nc1cc(NCC(O)C(F)(F)F)ncn1.
What is the InChIKey of 3-[(6-aminopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is YCUIVGGYCOCNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)4(15)2-12-6-1-5(11)13-3-14-6/h1,3-4,15H,2H2,(H3,11,12,13,14).
What are the key properties of 3-[(6-aminopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(6-aminopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 222.17 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-aminopyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103646052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).