5,7-dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

C11H13N7S — CID 2999197

IUPAC5,7-dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CSc3nnnn3C)nc2n1
InChIInChI=1S/C11H13N7S/c1-7-4-8(2)18-5-9(13-10(18)12-7)6-19-11-14-15-16-17(11)3/h4-5H,6H2,1-3H3
InChIKeyMLKGSXOHHNRKKK-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.16
Rot. Bonds3

About 5,7-dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

5,7-dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (PubChem CID 2999197) has the molecular formula C11H13N7S and a molecular weight of 275.34 g/mol. Its IUPAC name is 5,7-dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
PubChem CID2999197
Molecular FormulaC11H13N7S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name5,7-dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CSc3nnnn3C)nc2n1
InChIInChI=1S/C11H13N7S/c1-7-4-8(2)18-5-9(13-10(18)12-7)6-19-11-14-15-16-17(11)3/h4-5H,6H2,1-3H3
InChIKeyMLKGSXOHHNRKKK-UHFFFAOYSA-N
XLogP1.16
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (CID 2999197) is 5,7-dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(CSc3nnnn3C)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is MLKGSXOHHNRKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7S/c1-7-4-8(2)18-5-9(13-10(18)12-7)6-19-11-14-15-16-17(11)3/h4-5H,6H2,1-3H3.
What are the key properties of 5,7-dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
5,7-dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 275.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 2999197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).