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

C12H17F3N4O — CID 102875611

IUPAC3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
SMILESNc1nc(N(CCCO)C2CCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)9-7-10(18-11(16)17-9)19(5-2-6-20)8-3-1-4-8/h7-8,20H,1-6H2,(H2,16,17,18)
InChIKeyXOQITNUJZJQHEM-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.82
Rot. Bonds5

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

3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol (PubChem CID 102875611) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
PubChem CID102875611
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
SMILESNc1nc(N(CCCO)C2CCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)9-7-10(18-11(16)17-9)19(5-2-6-20)8-3-1-4-8/h7-8,20H,1-6H2,(H2,16,17,18)
InChIKeyXOQITNUJZJQHEM-UHFFFAOYSA-N
XLogP1.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875779
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875573
3-[cyclobutyl-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 106776229
3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875612
2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 102875645
4-N-cyclopropyl-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564619
2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol
CID 80810818
3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875552
N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567034
3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 102859672
4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107403126
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol
CID 102718042

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol (CID 102875611) is 3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol is Nc1nc(N(CCCO)C2CCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol?
The InChIKey is XOQITNUJZJQHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)9-7-10(18-11(16)17-9)19(5-2-6-20)8-3-1-4-8/h7-8,20H,1-6H2,(H2,16,17,18).
What are the key properties of 3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol?
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol has a molecular weight of 290.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102875611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).