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

C9H11ClN6S — CID 63730604

IUPAC4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Sc1nnnn1C
InChIInChI=1S/C9H11ClN6S/c1-3-4-6-7(10)11-5-12-8(6)17-9-13-14-15-16(9)2/h5H,3-4H2,1-2H3
InChIKeyCBUXYOQRFLGWKV-UHFFFAOYSA-N
MW270.75 g/mol
LogP1.76
Rot. Bonds4

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

4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propylpyrimidine (PubChem CID 63730604) 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-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propylpyrimidine
PubChem CID63730604
Molecular FormulaC9H11ClN6S
Molecular Weight270.75 g/mol
Exact Mass270.05
IUPAC Name4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Sc1nnnn1C
InChIInChI=1S/C9H11ClN6S/c1-3-4-6-7(10)11-5-12-8(6)17-9-13-14-15-16(9)2/h5H,3-4H2,1-2H3
InChIKeyCBUXYOQRFLGWKV-UHFFFAOYSA-N
XLogP1.76
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine
CID 63733312
5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80887595
4-tert-butylsulfanyl-6-chloro-5-propylpyrimidine
CID 63728559
4-chloro-5-ethyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 63730609
4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine
CID 63730614
2-(6-chloro-5-propylpyrimidin-4-yl)sulfanyl-1H-benzimidazole
CID 63731224
4-chloro-6-(4-nitrophenyl)sulfanyl-5-propylpyrimidine
CID 63730820
4-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyrimidine
CID 63732291
4-(1-methyltetrazol-5-yl)sulfanylthieno[3,2-d]pyrimidine
CID 47129940
4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 104603371
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine
CID 80888105
2-chloro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 60726872

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propylpyrimidine (CID 63730604) is 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propylpyrimidine is CCCc1c(Cl)ncnc1Sc1nnnn1C.
What is the InChIKey of 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propylpyrimidine?
The InChIKey is CBUXYOQRFLGWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6S/c1-3-4-6-7(10)11-5-12-8(6)17-9-13-14-15-16(9)2/h5H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propylpyrimidine?
4-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-5-propylpyrimidine has a molecular weight of 270.75 g/mol, XLogP of 1.76, 4 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-propylpyrimidine is sourced from PubChem (CID 63730604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).