4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

C13H21F3N4 — CID 106773403

IUPAC4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC(C)(C)CC)nc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4/c1-5-12(3,4)8-18-10-7-9(17-6-2)19-11(20-10)13(14,15)16/h7H,5-6,8H2,1-4H3,(H2,17,18,19,20)
InChIKeyWFDPOHWSQLYLHC-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.78
Rot. Bonds6

About 4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106773403) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106773403
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC(C)(C)CC)nc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4/c1-5-12(3,4)8-18-10-7-9(17-6-2)19-11(20-10)13(14,15)16/h7H,5-6,8H2,1-4H3,(H2,17,18,19,20)
InChIKeyWFDPOHWSQLYLHC-UHFFFAOYSA-N
XLogP3.78
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 106772277
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-1-ol
CID 106772202
2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855694
4-N-(2-cyclopropylethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772336
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846872
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773628
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
6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772484
N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773688
4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149856

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106773403) is 4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCNc1cc(NCC(C)(C)CC)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is WFDPOHWSQLYLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-5-12(3,4)8-18-10-7-9(17-6-2)19-11(20-10)13(14,15)16/h7H,5-6,8H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 290.33 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106773403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).