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

C12H19F3N4O — CID 106773156

IUPAC4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]butan-2-ol
SMILESCCNc1cc(N(C)CCC(C)O)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O/c1-4-16-9-7-10(19(3)6-5-8(2)20)18-11(17-9)12(13,14)15/h7-8,20H,4-6H2,1-3H3,(H,16,17,18)
InChIKeySZSZIJJSADYYPE-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.13
Rot. Bonds6

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

4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]butan-2-ol (PubChem CID 106773156) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]butan-2-ol
PubChem CID106773156
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]butan-2-ol
SMILESCCNc1cc(N(C)CCC(C)O)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O/c1-4-16-9-7-10(19(3)6-5-8(2)20)18-11(17-9)12(13,14)15/h7-8,20H,4-6H2,1-3H3,(H,16,17,18)
InChIKeySZSZIJJSADYYPE-UHFFFAOYSA-N
XLogP2.13
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

6-N-ethyl-4-N-methyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770662
1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 106772441
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770982
6-N-ethyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770291
4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771304
4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 102719371
6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80959784
4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80958459
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557046
6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine
CID 80847003
4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772085
3-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylpentan-1-ol
CID 106358061

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]butan-2-ol?
The IUPAC name of 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]butan-2-ol (CID 106773156) is 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]butan-2-ol.
What is the SMILES notation for 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]butan-2-ol?
The canonical SMILES for 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]butan-2-ol is CCNc1cc(N(C)CCC(C)O)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]butan-2-ol?
The InChIKey is SZSZIJJSADYYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-4-16-9-7-10(19(3)6-5-8(2)20)18-11(17-9)12(13,14)15/h7-8,20H,4-6H2,1-3H3,(H,16,17,18).
What are the key properties of 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]butan-2-ol?
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]butan-2-ol has a molecular weight of 292.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]butan-2-ol is sourced from PubChem (CID 106773156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).