2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol

C8H11F3N4O2 — CID 106772304

IUPAC2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol
SMILESNc1cc(NC(CO)CO)nc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2/c9-8(10,11)7-14-5(12)1-6(15-7)13-4(2-16)3-17/h1,4,16-17H,2-3H2,(H3,12,13,14,15)
InChIKeyJUOOQOXAPZXHDU-UHFFFAOYSA-N
MW252.20 g/mol
LogP-0.16
Rot. Bonds4

About 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol

2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol (PubChem CID 106772304) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol
PubChem CID106772304
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol
SMILESNc1cc(NC(CO)CO)nc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O2/c9-8(10,11)7-14-5(12)1-6(15-7)13-4(2-16)3-17/h1,4,16-17H,2-3H2,(H3,12,13,14,15)
InChIKeyJUOOQOXAPZXHDU-UHFFFAOYSA-N
XLogP-0.16
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol with MolForge

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

Launch Full Analysis

Related Compounds

2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 114157114
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-phenylethanol
CID 106771905
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 106770327
4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769922
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179444
3-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311801
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
CID 106773392
1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 106773118
4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771303
2-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 106771755
2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol
CID 112559838
3-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 106772283

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol?
The IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol (CID 106772304) is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol is Nc1cc(NC(CO)CO)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol?
The InChIKey is JUOOQOXAPZXHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c9-8(10,11)7-14-5(12)1-6(15-7)13-4(2-16)3-17/h1,4,16-17H,2-3H2,(H3,12,13,14,15).
What are the key properties of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol?
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol has a molecular weight of 252.20 g/mol, XLogP of -0.16, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol is sourced from PubChem (CID 106772304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).