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

C12H19F3N4O2 — CID 106248639

IUPAC4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
SMILESCCNc1cc(NCCC(O)COC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O2/c1-3-16-9-6-10(17-5-4-8(20)7-21-2)19-11(18-9)12(13,14)15/h6,8,20H,3-5,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyNRIYFMXESCFYCQ-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.74
Rot. Bonds8

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

4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol (PubChem CID 106248639) has the molecular formula C12H19F3N4O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
PubChem CID106248639
Molecular FormulaC12H19F3N4O2
Molecular Weight308.30 g/mol
Exact Mass308.15
IUPAC Name4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
SMILESCCNc1cc(NCCC(O)COC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O2/c1-3-16-9-6-10(17-5-4-8(20)7-21-2)19-11(18-9)12(13,14)15/h6,8,20H,3-5,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyNRIYFMXESCFYCQ-UHFFFAOYSA-N
XLogP1.74
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106248740
1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 103875643
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846872
1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106773146
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80958459
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
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
2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855694
4-N-(dicyclopropylmethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771247

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol (CID 106248639) is 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol is CCNc1cc(NCCC(O)COC)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol?
The InChIKey is NRIYFMXESCFYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O2/c1-3-16-9-6-10(17-5-4-8(20)7-21-2)19-11(18-9)12(13,14)15/h6,8,20H,3-5,7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol?
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol has a molecular weight of 308.30 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106248639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).