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

C13H17ClN6S — CID 63733312

IUPAC4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Sc1nnnn1C1CCCC1
InChIInChI=1S/C13H17ClN6S/c1-2-5-10-11(14)15-8-16-12(10)21-13-17-18-19-20(13)9-6-3-4-7-9/h8-9H,2-7H2,1H3
InChIKeyOUEQLUVSGZWOJL-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.34
Rot. Bonds5

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

4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine (PubChem CID 63733312) has the molecular formula C13H17ClN6S and a molecular weight of 324.84 g/mol. Its IUPAC name is 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine
PubChem CID63733312
Molecular FormulaC13H17ClN6S
Molecular Weight324.84 g/mol
Exact Mass324.09
IUPAC Name4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Sc1nnnn1C1CCCC1
InChIInChI=1S/C13H17ClN6S/c1-2-5-10-11(14)15-8-16-12(10)21-13-17-18-19-20(13)9-6-3-4-7-9/h8-9H,2-7H2,1H3
InChIKeyOUEQLUVSGZWOJL-UHFFFAOYSA-N
XLogP3.34
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propylpyrimidine
CID 63730604
6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80870012
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80894072
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine
CID 80893018
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 80882455
5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine
CID 66320984
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80893668
4-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-propylpyrimidine
CID 80945247
[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine
CID 80930542
4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine
CID 80869196
1-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64649517
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80869111

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine (CID 63733312) is 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine is CCCc1c(Cl)ncnc1Sc1nnnn1C1CCCC1.
What is the InChIKey of 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine?
The InChIKey is OUEQLUVSGZWOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6S/c1-2-5-10-11(14)15-8-16-12(10)21-13-17-18-19-20(13)9-6-3-4-7-9/h8-9H,2-7H2,1H3.
What are the key properties of 4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine?
4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine has a molecular weight of 324.84 g/mol, XLogP of 3.34, 5 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-propylpyrimidine is sourced from PubChem (CID 63733312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).