4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

C14H14F3N7S — CID 133293639

IUPAC4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1cc(C(F)(F)F)nc(NCc2nc(-c3cccs3)n[nH]2)n1
InChIInChI=1S/C14H14F3N7S/c1-24(2)11-6-9(14(15,16)17)19-13(21-11)18-7-10-20-12(23-22-10)8-4-3-5-25-8/h3-6H,7H2,1-2H3,(H,18,19,21)(H,20,22,23)
InChIKeyGIIBBMCOTXICOV-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.02
Rot. Bonds5

About 4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 133293639) has the molecular formula C14H14F3N7S and a molecular weight of 369.38 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID133293639
Molecular FormulaC14H14F3N7S
Molecular Weight369.38 g/mol
Exact Mass369.10
IUPAC Name4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1cc(C(F)(F)F)nc(NCc2nc(-c3cccs3)n[nH]2)n1
InChIInChI=1S/C14H14F3N7S/c1-24(2)11-6-9(14(15,16)17)19-13(21-11)18-7-10-20-12(23-22-10)8-4-3-5-25-8/h3-6H,7H2,1-2H3,(H,18,19,21)(H,20,22,23)
InChIKeyGIIBBMCOTXICOV-UHFFFAOYSA-N
XLogP3.02
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 62732644
6,7-dimethoxy-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]quinazoline-2,4-diamine
CID 133355275
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine
CID 62732833
2-nitro-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)aniline
CID 133293645
4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 133372541
6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine
CID 133295366
4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide
CID 78870763
N-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 62734149
3-thiophen-2-yl-5-(2,4,4-trimethylpentyl)-1H-1,2,4-triazole
CID 55222065
2-chloro-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]benzonitrile
CID 133355288
6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile
CID 133293696
2-hydrazinyl-N-methyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566951

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 133293639) is 4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is CN(C)c1cc(C(F)(F)F)nc(NCc2nc(-c3cccs3)n[nH]2)n1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is GIIBBMCOTXICOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N7S/c1-24(2)11-6-9(14(15,16)17)19-13(21-11)18-7-10-20-12(23-22-10)8-4-3-5-25-8/h3-6H,7H2,1-2H3,(H,18,19,21)(H,20,22,23).
What are the key properties of 4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 369.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 133293639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).