3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol

C12H19F3N4O — CID 106772537

IUPAC3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O/c1-3-8(4-5-20)7-17-10-6-9(16-2)18-11(19-10)12(13,14)15/h6,8,20H,3-5,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyYQZBUQJAUQEYAV-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.36
Rot. Bonds7

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

3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol (PubChem CID 106772537) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
PubChem CID106772537
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O/c1-3-8(4-5-20)7-17-10-6-9(16-2)18-11(19-10)12(13,14)15/h6,8,20H,3-5,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyYQZBUQJAUQEYAV-UHFFFAOYSA-N
XLogP2.36
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol with MolForge

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Related Compounds

3-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 114565499
3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,2-diol
CID 106772397
4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773034
3-[[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80926110
6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106296239
3-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylpentan-1-ol
CID 106358061
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967240
6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772673
1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106773146
3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80968493
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-3-ethylpentan-2-ol
CID 106288889
N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106771575

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol (CID 106772537) is 3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol is CCC(CCO)CNc1cc(NC)nc(C(F)(F)F)n1.
What is the InChIKey of 3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
The InChIKey is YQZBUQJAUQEYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-3-8(4-5-20)7-17-10-6-9(16-2)18-11(19-10)12(13,14)15/h6,8,20H,3-5,7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol?
3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol has a molecular weight of 292.31 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol is sourced from PubChem (CID 106772537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).