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

C8H11F3N4O — CID 114564072

IUPAC1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
SMILESCC(O)CNc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C8H11F3N4O/c1-4(16)3-13-6-2-5(8(9,10)11)14-7(12)15-6/h2,4,16H,3H2,1H3,(H3,12,13,14,15)
InChIKeyUUCCLFSLIDKZNM-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.87
Rot. Bonds3

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

1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 114564072) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID114564072
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
SMILESCC(O)CNc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C8H11F3N4O/c1-4(16)3-13-6-2-5(8(9,10)11)14-7(12)15-6/h2,4,16H,3H2,1H3,(H3,12,13,14,15)
InChIKeyUUCCLFSLIDKZNM-UHFFFAOYSA-N
XLogP0.87
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 114565296
(2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 114986067
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide
CID 114565726
4-N-(5-methylhexan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565132
4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563868
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248871
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358269
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 114567617
4-N-[(4-methylphenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563927
6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
CID 106434004
2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567470
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114567616

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol (CID 114564072) is 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol is CC(O)CNc1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is UUCCLFSLIDKZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-4(16)3-13-6-2-5(8(9,10)11)14-7(12)15-6/h2,4,16H,3H2,1H3,(H3,12,13,14,15).
What are the key properties of 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 236.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 114564072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).