3-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine

C8H11N3S — CID 21320093

IUPAC3-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCSC1=NC=CC2=NCC(C)N21
InChIInChI=1S/C8H11N3S/c1-6-5-10-7-3-4-9-8(12-2)11(6)7/h3-4,6H,5H2,1-2H3
InChIKeyAGMTWMXHIFBNRU-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.34
Rot. Bonds

About 3-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine

3-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine (PubChem CID 21320093) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 3-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name3-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine
PubChem CID21320093
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name3-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine
SMILESCSC1=NC=CC2=NCC(C)N21
InChIInChI=1S/C8H11N3S/c1-6-5-10-7-3-4-9-8(12-2)11(6)7/h3-4,6H,5H2,1-2H3
InChIKeyAGMTWMXHIFBNRU-UHFFFAOYSA-N
XLogP1.34
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Chloro-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine
CID 21320074
3-Methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine;hydrochloride
CID 21320092
7-Chloro-2-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine
CID 59299175
3,5-Dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol;hydrochloride
CID 88792900
3,5-Dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol
CID 88792901

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The IUPAC name of 3-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine (CID 21320093) is 3-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 3-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The canonical SMILES for 3-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine is CSC1=NC=CC2=NCC(C)N21.
What is the InChIKey of 3-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
The InChIKey is AGMTWMXHIFBNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-6-5-10-7-3-4-9-8(12-2)11(6)7/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine?
3-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine has a molecular weight of 181.26 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 21320093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).