4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propan-2-ylpyrimidine

C9H11ClN6S — CID 55229899

IUPAC4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1Sc1nnnn1C
InChIInChI=1S/C9H11ClN6S/c1-5(2)6-7(10)11-4-12-8(6)17-9-13-14-15-16(9)3/h4-5H,1-3H3
InChIKeyAEYKWNXQWVGXSR-UHFFFAOYSA-N
MW270.75 g/mol
LogP1.93
Rot. Bonds3

About 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propan-2-ylpyrimidine

4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propan-2-ylpyrimidine (PubChem CID 55229899) has the molecular formula C9H11ClN6S and a molecular weight of 270.75 g/mol. Its IUPAC name is 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propan-2-ylpyrimidine
PubChem CID55229899
Molecular FormulaC9H11ClN6S
Molecular Weight270.75 g/mol
Exact Mass270.05
IUPAC Name4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1Sc1nnnn1C
InChIInChI=1S/C9H11ClN6S/c1-5(2)6-7(10)11-4-12-8(6)17-9-13-14-15-16(9)3/h4-5H,1-3H3
InChIKeyAEYKWNXQWVGXSR-UHFFFAOYSA-N
XLogP1.93
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propan-2-ylpyrimidine (CID 55229899) is 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)ncnc1Sc1nnnn1C.
What is the InChIKey of 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propan-2-ylpyrimidine?
The InChIKey is AEYKWNXQWVGXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6S/c1-5(2)6-7(10)11-4-12-8(6)17-9-13-14-15-16(9)3/h4-5H,1-3H3.
What are the key properties of 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propan-2-ylpyrimidine?
4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propan-2-ylpyrimidine has a molecular weight of 270.75 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propan-2-ylpyrimidine is sourced from PubChem (CID 55229899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).