2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine

C7H5ClF3N7 — CID 114156673

IUPAC2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCc2nn[nH]n2)nc(Cl)n1
InChIInChI=1S/C7H5ClF3N7/c8-6-13-3(7(9,10)11)1-4(14-6)12-2-5-15-17-18-16-5/h1H,2H2,(H,12,13,14)(H,15,16,17,18)
InChIKeyAAWQEDMTOZGDIL-UHFFFAOYSA-N
MW279.61 g/mol
LogP1.27
Rot. Bonds3

About 2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114156673) has the molecular formula C7H5ClF3N7 and a molecular weight of 279.61 g/mol. Its IUPAC name is 2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114156673
Molecular FormulaC7H5ClF3N7
Molecular Weight279.61 g/mol
Exact Mass279.02
IUPAC Name2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCc2nn[nH]n2)nc(Cl)n1
InChIInChI=1S/C7H5ClF3N7/c8-6-13-3(7(9,10)11)1-4(14-6)12-2-5-15-17-18-16-5/h1H,2H2,(H,12,13,14)(H,15,16,17,18)
InChIKeyAAWQEDMTOZGDIL-UHFFFAOYSA-N
XLogP1.27
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.61
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114156673) is 2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NCc2nn[nH]n2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is AAWQEDMTOZGDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N7/c8-6-13-3(7(9,10)11)1-4(14-6)12-2-5-15-17-18-16-5/h1H,2H2,(H,12,13,14)(H,15,16,17,18).
What are the key properties of 2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 279.61 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2H-tetrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114156673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).