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

C6H6FN7S — CID 80886704

IUPAC5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine
SMILESCn1nnnc1Sc1nc(N)ncc1F
InChIInChI=1S/C6H6FN7S/c1-14-6(11-12-13-14)15-4-3(7)2-9-5(8)10-4/h2H,1H3,(H2,8,9,10)
InChIKeyYPQOAFFFPWXOTR-UHFFFAOYSA-N
MW227.23 g/mol
LogP-0.13
Rot. Bonds2

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

5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine (PubChem CID 80886704) has the molecular formula C6H6FN7S and a molecular weight of 227.23 g/mol. Its IUPAC name is 5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine
PubChem CID80886704
Molecular FormulaC6H6FN7S
Molecular Weight227.23 g/mol
Exact Mass227.04
IUPAC Name5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine
SMILESCn1nnnc1Sc1nc(N)ncc1F
InChIInChI=1S/C6H6FN7S/c1-14-6(11-12-13-14)15-4-3(7)2-9-5(8)10-4/h2H,1H3,(H2,8,9,10)
InChIKeyYPQOAFFFPWXOTR-UHFFFAOYSA-N
XLogP-0.13
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine (CID 80886704) is 5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine is Cn1nnnc1Sc1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
The InChIKey is YPQOAFFFPWXOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN7S/c1-14-6(11-12-13-14)15-4-3(7)2-9-5(8)10-4/h2H,1H3,(H2,8,9,10).
What are the key properties of 5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine has a molecular weight of 227.23 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80886704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).