4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine

C7H7ClN6OS — CID 89206264

IUPAC4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine
SMILESCOc1cc(Cl)nc(Sc2nnnn2C)n1
InChIInChI=1S/C7H7ClN6OS/c1-14-7(11-12-13-14)16-6-9-4(8)3-5(10-6)15-2/h3H,1-2H3
InChIKeyFLSFDVNDRXAWGV-UHFFFAOYSA-N
MW258.69 g/mol
LogP0.81
Rot. Bonds3

About 4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine

4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine (PubChem CID 89206264) has the molecular formula C7H7ClN6OS and a molecular weight of 258.69 g/mol. Its IUPAC name is 4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine
PubChem CID89206264
Molecular FormulaC7H7ClN6OS
Molecular Weight258.69 g/mol
Exact Mass258.01
IUPAC Name4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine
SMILESCOc1cc(Cl)nc(Sc2nnnn2C)n1
InChIInChI=1S/C7H7ClN6OS/c1-14-7(11-12-13-14)16-6-9-4(8)3-5(10-6)15-2/h3H,1-2H3
InChIKeyFLSFDVNDRXAWGV-UHFFFAOYSA-N
XLogP0.81
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.69
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine?
The IUPAC name of 4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine (CID 89206264) is 4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine is COc1cc(Cl)nc(Sc2nnnn2C)n1.
What is the InChIKey of 4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine?
The InChIKey is FLSFDVNDRXAWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN6OS/c1-14-7(11-12-13-14)16-6-9-4(8)3-5(10-6)15-2/h3H,1-2H3.
What are the key properties of 4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine?
4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine has a molecular weight of 258.69 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine is sourced from PubChem (CID 89206264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).