1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol

C10H15F3N4O — CID 106773118

IUPAC1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-5(2)6(18)4-15-8-3-7(14)16-9(17-8)10(11,12)13/h3,5-6,18H,4H2,1-2H3,(H3,14,15,16,17)
InChIKeyICQGQIGMLKMXJU-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.51
Rot. Bonds4

About 1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol

1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol (PubChem CID 106773118) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
PubChem CID106773118
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-5(2)6(18)4-15-8-3-7(14)16-9(17-8)10(11,12)13/h3,5-6,18H,4H2,1-2H3,(H3,14,15,16,17)
InChIKeyICQGQIGMLKMXJU-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-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

Related Compounds

4-N-(2-methoxypropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773341
4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769922
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 106770327
3-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 106772283
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771783
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 114567617
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179444
2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine
CID 115409403
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol
CID 106772304
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770425
N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 106770814
2-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 106771755

Frequently Asked Questions

What is the IUPAC name of 1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol?
The IUPAC name of 1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol (CID 106773118) is 1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol is CC(C)C(O)CNc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol?
The InChIKey is ICQGQIGMLKMXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-5(2)6(18)4-15-8-3-7(14)16-9(17-8)10(11,12)13/h3,5-6,18H,4H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol?
1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol has a molecular weight of 264.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol is sourced from PubChem (CID 106773118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).