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

C12H10FN7S — CID 80863567

IUPAC5-fluoro-N-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C12H10FN7S/c1-14-11-15-7-9(13)10(16-11)21-12-17-18-19-20(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15,16)
InChIKeyOANODIFSVLHLED-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.78
Rot. Bonds4

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

5-fluoro-N-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine (PubChem CID 80863567) has the molecular formula C12H10FN7S and a molecular weight of 303.33 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine
PubChem CID80863567
Molecular FormulaC12H10FN7S
Molecular Weight303.33 g/mol
Exact Mass303.07
IUPAC Name5-fluoro-N-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C12H10FN7S/c1-14-11-15-7-9(13)10(16-11)21-12-17-18-19-20(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15,16)
InChIKeyOANODIFSVLHLED-UHFFFAOYSA-N
XLogP1.78
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine (CID 80863567) is 5-fluoro-N-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine is CNc1ncc(F)c(Sc2nnnn2-c2ccccc2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
The InChIKey is OANODIFSVLHLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN7S/c1-14-11-15-7-9(13)10(16-11)21-12-17-18-19-20(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15,16).
What are the key properties of 5-fluoro-N-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
5-fluoro-N-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine has a molecular weight of 303.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80863567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).