6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C11H14F3N7 — CID 106771685

IUPAC6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2nncn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N7/c1-3-15-7-4-8(19-10(18-7)11(12,13)14)16-5-9-20-17-6-21(9)2/h4,6H,3,5H2,1-2H3,(H2,15,16,18,19)
InChIKeyDCRSQIUJHKKQFC-UHFFFAOYSA-N
MW301.28 g/mol
LogP1.67
Rot. Bonds5

About 6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771685) has the molecular formula C11H14F3N7 and a molecular weight of 301.28 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771685
Molecular FormulaC11H14F3N7
Molecular Weight301.28 g/mol
Exact Mass301.13
IUPAC Name6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2nncn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N7/c1-3-15-7-4-8(19-10(18-7)11(12,13)14)16-5-9-20-17-6-21(9)2/h4,6H,3,5H2,1-2H3,(H2,15,16,18,19)
InChIKeyDCRSQIUJHKKQFC-UHFFFAOYSA-N
XLogP1.67
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N,2-diethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80935263
6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775695
2-tert-butyl-6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 80950966
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106304450
6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpyrimidine-4,6-diamine
CID 106304567
6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770554
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772484
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855694
1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 106772277
2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80821706

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771685) is 6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCNc1cc(NCc2nncn2C)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is DCRSQIUJHKKQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N7/c1-3-15-7-4-8(19-10(18-7)11(12,13)14)16-5-9-20-17-6-21(9)2/h4,6H,3,5H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 301.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).