4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methylpyrimidine

C11H13ClN6S — CID 55230670

IUPAC4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1Sc1nnnn1C1CCCC1
InChIInChI=1S/C11H13ClN6S/c1-7-9(12)13-6-14-10(7)19-11-15-16-17-18(11)8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKeyWTTAAYTUVMVEKC-UHFFFAOYSA-N
MW296.79 g/mol
LogP2.69
Rot. Bonds3

About 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methylpyrimidine

4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methylpyrimidine (PubChem CID 55230670) has the molecular formula C11H13ClN6S and a molecular weight of 296.79 g/mol. Its IUPAC name is 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methylpyrimidine
PubChem CID55230670
Molecular FormulaC11H13ClN6S
Molecular Weight296.79 g/mol
Exact Mass296.06
IUPAC Name4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1Sc1nnnn1C1CCCC1
InChIInChI=1S/C11H13ClN6S/c1-7-9(12)13-6-14-10(7)19-11-15-16-17-18(11)8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKeyWTTAAYTUVMVEKC-UHFFFAOYSA-N
XLogP2.69
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 52.69
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-cyclopentyltetrazol-5-yl)sulfanyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methylpyrimidine (CID 55230670) is 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methylpyrimidine is Cc1c(Cl)ncnc1Sc1nnnn1C1CCCC1.
What is the InChIKey of 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methylpyrimidine?
The InChIKey is WTTAAYTUVMVEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6S/c1-7-9(12)13-6-14-10(7)19-11-15-16-17-18(11)8-4-2-3-5-8/h6,8H,2-5H2,1H3.
What are the key properties of 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methylpyrimidine?
4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methylpyrimidine has a molecular weight of 296.79 g/mol, XLogP of 2.69, 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-cyclopentyltetrazol-5-yl)sulfanyl-5-methylpyrimidine is sourced from PubChem (CID 55230670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).