2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine

C11H9N7S — CID 116798178

IUPAC2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine
SMILESNc1ccnc(Sc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C11H9N7S/c12-9-6-7-13-10(14-9)19-11-15-16-17-18(11)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)
InChIKeyUREGJFGMCJNMFC-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.19
Rot. Bonds3

About 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine

2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine (PubChem CID 116798178) has the molecular formula C11H9N7S and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine
PubChem CID116798178
Molecular FormulaC11H9N7S
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine
SMILESNc1ccnc(Sc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C11H9N7S/c12-9-6-7-13-10(14-9)19-11-15-16-17-18(11)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)
InChIKeyUREGJFGMCJNMFC-UHFFFAOYSA-N
XLogP1.19
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine-4-carboxylic acid
CID 107555143
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
[3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine
CID 62685186
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
3-chloro-4-(1-phenyltetrazol-5-yl)sulfanylaniline
CID 594148
3-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylaniline
CID 28972796
4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708988
5-chloro-4-fluoro-2-(1-phenyltetrazol-5-yl)sulfanylaniline
CID 66078113
4-(1-phenyltetrazol-5-yl)sulfanylbut-2-en-1-amine
CID 77110853
2-(1-phenyltetrazol-5-yl)sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 2466423
1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 17449592
1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one
CID 133446978

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine (CID 116798178) is 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine is Nc1ccnc(Sc2nnnn2-c2ccccc2)n1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine?
The InChIKey is UREGJFGMCJNMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7S/c12-9-6-7-13-10(14-9)19-11-15-16-17-18(11)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14).
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine?
2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine has a molecular weight of 271.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 116798178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).