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

C12H19F3N4O — CID 106358269

IUPAC3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C12H19F3N4O/c1-11(2,3)7(4-5-20)17-9-6-8(12(13,14)15)18-10(16)19-9/h6-7,20H,4-5H2,1-3H3,(H3,16,17,18,19)
InChIKeyYKFHPYKXQQMDOJ-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.29
Rot. Bonds4

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

3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 106358269) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
PubChem CID106358269
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C12H19F3N4O/c1-11(2,3)7(4-5-20)17-9-6-8(12(13,14)15)18-10(16)19-9/h6-7,20H,4-5H2,1-3H3,(H3,16,17,18,19)
InChIKeyYKFHPYKXQQMDOJ-UHFFFAOYSA-N
XLogP2.29
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 114986067
4-N-(5-methylhexan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565132
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564072
4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563868
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide
CID 114565726
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358242
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-ethylbutan-1-ol
CID 114564895
4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 103764890
3-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 114565296
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248871
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358372
3-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114177404

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol (CID 106358269) is 3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)Nc1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is YKFHPYKXQQMDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-11(2,3)7(4-5-20)17-9-6-8(12(13,14)15)18-10(16)19-9/h6-7,20H,4-5H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 292.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 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]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106358269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).