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

C12H19F3N4O — CID 106772202

IUPAC2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol
SMILESCCNc1cc(NC(C)(CC)CO)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O/c1-4-11(3,7-20)19-9-6-8(16-5-2)17-10(18-9)12(13,14)15/h6,20H,4-5,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyAQYPTMSBOZXTAE-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.50
Rot. Bonds6

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

2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol (PubChem CID 106772202) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol
PubChem CID106772202
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol
SMILESCCNc1cc(NC(C)(CC)CO)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O/c1-4-11(3,7-20)19-9-6-8(16-5-2)17-10(18-9)12(13,14)15/h6,20H,4-5,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyAQYPTMSBOZXTAE-UHFFFAOYSA-N
XLogP2.50
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855694
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 106772277
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846872
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773628
4-N-(dicyclopropylmethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771247
3-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylpentan-1-ol
CID 106358061
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 80937626
4-N-(2-cyclopropylethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772336
6-N-ethyl-4-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773050
6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770554

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol (CID 106772202) is 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol is CCNc1cc(NC(C)(CC)CO)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The InChIKey is AQYPTMSBOZXTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-4-11(3,7-20)19-9-6-8(16-5-2)17-10(18-9)12(13,14)15/h6,20H,4-5,7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol has a molecular weight of 292.31 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol is sourced from PubChem (CID 106772202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).