1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol

C12H19F3N4O — CID 106772441

IUPAC1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
SMILESCCNc1cc(N(C)CC(C)(C)O)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O/c1-5-16-8-6-9(19(4)7-11(2,3)20)18-10(17-8)12(13,14)15/h6,20H,5,7H2,1-4H3,(H,16,17,18)
InChIKeyFBEDSIIQRNAMRD-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.13
Rot. Bonds5

About 1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol

1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol (PubChem CID 106772441) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
PubChem CID106772441
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
SMILESCCNc1cc(N(C)CC(C)(C)O)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O/c1-5-16-8-6-9(19(4)7-11(2,3)20)18-10(17-8)12(13,14)15/h6,20H,5,7H2,1-4H3,(H,16,17,18)
InChIKeyFBEDSIIQRNAMRD-UHFFFAOYSA-N
XLogP2.13
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol
CID 102718868
6-N-ethyl-4-N-methyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770662
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]butan-2-ol
CID 106773156
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770982
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80958949
6-N-ethyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770291
2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80950546
1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 106772277
2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80848388
4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772085
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855694

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol (CID 106772441) is 1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol is CCNc1cc(N(C)CC(C)(C)O)nc(C(F)(F)F)n1.
What is the InChIKey of 1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is FBEDSIIQRNAMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-5-16-8-6-9(19(4)7-11(2,3)20)18-10(17-8)12(13,14)15/h6,20H,5,7H2,1-4H3,(H,16,17,18).
What are the key properties of 1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 292.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 106772441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).