4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C12H15F3N6 — CID 69093205

IUPAC4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2ccn(CC)n2)ncc1C(F)(F)F
InChIInChI=1S/C12H15F3N6/c1-3-16-10-8(12(13,14)15)7-17-11(19-10)18-9-5-6-21(4-2)20-9/h5-7H,3-4H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyAWNALKZYYCBNAV-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.89
Rot. Bonds5

About 4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 69093205) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID69093205
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC Name4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2ccn(CC)n2)ncc1C(F)(F)F
InChIInChI=1S/C12H15F3N6/c1-3-16-10-8(12(13,14)15)7-17-11(19-10)18-9-5-6-21(4-2)20-9/h5-7H,3-4H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyAWNALKZYYCBNAV-UHFFFAOYSA-N
XLogP2.89
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69091994
4-N-methyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092378
4-N-methyl-2-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093313
1-Ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134133048
5-bromo-4-N-methyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467620
5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazole-3-carbonitrile
CID 72191825
N4-methyl-N2-(1-methyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazol-7-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201491
US9932325, Example 183
CID 132232414
US9932325, Example 181
CID 132232421
US9932325, Example 179
CID 132232428
US9932325, Example 182
CID 132232466
US9932325, Example 190
CID 132244750

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 69093205) is 4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(Nc2ccn(CC)n2)ncc1C(F)(F)F.
What is the InChIKey of 4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is AWNALKZYYCBNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c1-3-16-10-8(12(13,14)15)7-17-11(19-10)18-9-5-6-21(4-2)20-9/h5-7H,3-4H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 300.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(1-ethylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69093205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).