4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine

C10H14N6S2 — CID 13138450

IUPAC4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine
SMILESCc1ccnc(SCCCSc2nnnn2C)n1
InChIInChI=1S/C10H14N6S2/c1-8-4-5-11-9(12-8)17-6-3-7-18-10-13-14-15-16(10)2/h4-5H,3,6-7H2,1-2H3
InChIKeyFSWRFLAFILLDOF-UHFFFAOYSA-N
MW282.40 g/mol
LogP1.58
Rot. Bonds6

About 4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine

4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine (PubChem CID 13138450) has the molecular formula C10H14N6S2 and a molecular weight of 282.40 g/mol. Its IUPAC name is 4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine
PubChem CID13138450
Molecular FormulaC10H14N6S2
Molecular Weight282.40 g/mol
Exact Mass282.07
IUPAC Name4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine
SMILESCc1ccnc(SCCCSc2nnnn2C)n1
InChIInChI=1S/C10H14N6S2/c1-8-4-5-11-9(12-8)17-6-3-7-18-10-13-14-15-16(10)2/h4-5H,3,6-7H2,1-2H3
InChIKeyFSWRFLAFILLDOF-UHFFFAOYSA-N
XLogP1.58
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine
CID 3061975
2-[6-(1-methyltetrazol-5-yl)sulfanylhexylsulfanyl]pyridine
CID 13061945
2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine
CID 13061964
3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
CID 43388613
5-[3-(3,5-dimethylphenoxy)propylsulfanyl]-1-methyltetrazole
CID 47115035
4-(4-methylpyrimidin-2-yl)sulfanyl-N-propan-2-ylbutan-1-amine
CID 62581708
N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride
CID 44665530
[4-[3-(1-methyltetrazol-5-yl)sulfanylpropoxy]phenyl]methanamine
CID 43530185
4-methyl-2-(2-piperazin-1-ylethylsulfanyl)pyrimidine
CID 62268751
2,2-dimethyl-5-(4-methylpyrimidin-2-yl)sulfanylpentanenitrile
CID 65257502
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline
CID 62578977
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine?
The IUPAC name of 4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine (CID 13138450) is 4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine?
The canonical SMILES for 4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine is Cc1ccnc(SCCCSc2nnnn2C)n1.
What is the InChIKey of 4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine?
The InChIKey is FSWRFLAFILLDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S2/c1-8-4-5-11-9(12-8)17-6-3-7-18-10-13-14-15-16(10)2/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine?
4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine has a molecular weight of 282.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine is sourced from PubChem (CID 13138450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).