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

C16H15N7S — CID 658925

IUPAC5,7-dimethyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CSc3nnnn3-c3ccccc3)nc2n1
InChIInChI=1S/C16H15N7S/c1-11-8-12(2)22-9-13(18-15(22)17-11)10-24-16-19-20-21-23(16)14-6-4-3-5-7-14/h3-9H,10H2,1-2H3
InChIKeyPCUJQZQIVUTHEA-UHFFFAOYSA-N
MW337.41 g/mol
LogP2.61
Rot. Bonds4

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

5,7-dimethyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (PubChem CID 658925) has the molecular formula C16H15N7S and a molecular weight of 337.41 g/mol. Its IUPAC name is 5,7-dimethyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
PubChem CID658925
Molecular FormulaC16H15N7S
Molecular Weight337.41 g/mol
Exact Mass337.11
IUPAC Name5,7-dimethyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CSc3nnnn3-c3ccccc3)nc2n1
InChIInChI=1S/C16H15N7S/c1-11-8-12(2)22-9-13(18-15(22)17-11)10-24-16-19-20-21-23(16)14-6-4-3-5-7-14/h3-9H,10H2,1-2H3
InChIKeyPCUJQZQIVUTHEA-UHFFFAOYSA-N
XLogP2.61
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.61
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-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (CID 658925) is 5,7-dimethyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(CSc3nnnn3-c3ccccc3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is PCUJQZQIVUTHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7S/c1-11-8-12(2)22-9-13(18-15(22)17-11)10-24-16-19-20-21-23(16)14-6-4-3-5-7-14/h3-9H,10H2,1-2H3.
What are the key properties of 5,7-dimethyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
5,7-dimethyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 337.41 g/mol, XLogP of 2.61, 4 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-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 658925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).