6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C11H13F3N6 — CID 106772484

IUPAC6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccn(C)n2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N6/c1-3-15-8-6-9(16-7-4-5-20(2)19-7)18-10(17-8)11(12,13)14/h4-6H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyHHVRVWPDGWJXGJ-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.40
Rot. Bonds4

About 6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772484) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772484
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccn(C)n2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N6/c1-3-15-8-6-9(16-7-4-5-20(2)19-7)18-10(17-8)11(12,13)14/h4-6H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyHHVRVWPDGWJXGJ-UHFFFAOYSA-N
XLogP2.40
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718897
2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959824
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80849853
6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771685
4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772704
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770554
6-N-ethyl-4-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773050
N-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 79778691
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

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772484) is 6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCNc1cc(Nc2ccn(C)n2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is HHVRVWPDGWJXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c1-3-15-8-6-9(16-7-4-5-20(2)19-7)18-10(17-8)11(12,13)14/h4-6H,3H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 286.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).