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

C11H8FN7S — CID 80892957

IUPAC5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine
SMILESNc1ncc(F)c(Sc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C11H8FN7S/c12-8-6-14-10(13)15-9(8)20-11-16-17-18-19(11)7-4-2-1-3-5-7/h1-6H,(H2,13,14,15)
InChIKeyJZQIKFILNVRVBX-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.32
Rot. Bonds3

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

5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine (PubChem CID 80892957) has the molecular formula C11H8FN7S and a molecular weight of 289.30 g/mol. Its IUPAC name is 5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine
PubChem CID80892957
Molecular FormulaC11H8FN7S
Molecular Weight289.30 g/mol
Exact Mass289.05
IUPAC Name5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine
SMILESNc1ncc(F)c(Sc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C11H8FN7S/c12-8-6-14-10(13)15-9(8)20-11-16-17-18-19(11)7-4-2-1-3-5-7/h1-6H,(H2,13,14,15)
InChIKeyJZQIKFILNVRVBX-UHFFFAOYSA-N
XLogP1.32
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-Pyrimidinamine, 4-(2,4-dimethyl-5-thiazolyl)-N-phenyl-
CID 6539280
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-fluorophenyl)pyrimidin-2-amine
CID 6539285
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)pyrimidin-2-amine
CID 6539286
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluorophenyl)pyrimidin-2-amine
CID 6539284
2-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)thio]methyl}-4-pyrimidinamine
CID 1253683
2-(1-Phenyl-1H-tetrazol-5-ylsulfanylmethyl)-pyridine
CID 580000
4-(butylthio)-1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 1630806
2-(((4-(4-fluorophenyl)-5-(propylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine
CID 2145137
4-(ethylsulfanyl)-1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 7199711
3-(Pyrimidin-2-ylthio)aniline
CID 56828586
4-(4-aminophenyl)sulfanyl-N-phenylpyrimidin-2-amine
CID 172448515
2-N-(4-fluorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-2,4-diamine
CID 178295631

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine (CID 80892957) is 5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine is Nc1ncc(F)c(Sc2nnnn2-c2ccccc2)n1.
What is the InChIKey of 5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
The InChIKey is JZQIKFILNVRVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN7S/c12-8-6-14-10(13)15-9(8)20-11-16-17-18-19(11)7-4-2-1-3-5-7/h1-6H,(H2,13,14,15).
What are the key properties of 5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine has a molecular weight of 289.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80892957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).