4-chloro-6-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine

C6H6ClN7S — CID 47151301

IUPAC4-chloro-6-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine
SMILESCn1nnnc1Sc1cc(Cl)nc(N)n1
InChIInChI=1S/C6H6ClN7S/c1-14-6(11-12-13-14)15-4-2-3(7)9-5(8)10-4/h2H,1H3,(H2,8,9,10)
InChIKeyNZJXQWJLTLUFJL-UHFFFAOYSA-N
MW243.68 g/mol
LogP0.39
Rot. Bonds2

About 4-chloro-6-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine

4-chloro-6-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine (PubChem CID 47151301) has the molecular formula C6H6ClN7S and a molecular weight of 243.68 g/mol. Its IUPAC name is 4-chloro-6-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine
PubChem CID47151301
Molecular FormulaC6H6ClN7S
Molecular Weight243.68 g/mol
Exact Mass243.01
IUPAC Name4-chloro-6-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine
SMILESCn1nnnc1Sc1cc(Cl)nc(N)n1
InChIInChI=1S/C6H6ClN7S/c1-14-6(11-12-13-14)15-4-2-3(7)9-5(8)10-4/h2H,1H3,(H2,8,9,10)
InChIKeyNZJXQWJLTLUFJL-UHFFFAOYSA-N
XLogP0.39
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.68
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine (CID 47151301) is 4-chloro-6-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine is Cn1nnnc1Sc1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
The InChIKey is NZJXQWJLTLUFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN7S/c1-14-6(11-12-13-14)15-4-2-3(7)9-5(8)10-4/h2H,1H3,(H2,8,9,10).
What are the key properties of 4-chloro-6-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine?
4-chloro-6-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine has a molecular weight of 243.68 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 47151301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).