3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol

C8H11N3S — CID 88792901

IUPAC3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol
SMILESCC1=NC=CC2=NC(S)C(C)N12
InChIInChI=1S/C8H11N3S/c1-5-8(12)10-7-3-4-9-6(2)11(5)7/h3-5,8,12H,1-2H3
InChIKeyANLJGIYWNJCPCE-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.29
Rot. Bonds

About 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol

3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol (PubChem CID 88792901) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol.

Molecular Properties

Compound Name3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol
PubChem CID88792901
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol
SMILESCC1=NC=CC2=NC(S)C(C)N12
InChIInChI=1S/C8H11N3S/c1-5-8(12)10-7-3-4-9-6(2)11(5)7/h3-5,8,12H,1-2H3
InChIKeyANLJGIYWNJCPCE-UHFFFAOYSA-N
XLogP1.29
TPSA27.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine;hydrochloride
CID 21320092
3,5-Dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol;hydrochloride
CID 88792900
2,3-Dihydroimidazo[1,2-a]pyridine-2-thiol
CID 143857289
3-Methyl-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]pyrimidine
CID 21320093

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol?
The IUPAC name of 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol (CID 88792901) is 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol.
What is the SMILES notation for 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol?
The canonical SMILES for 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol is CC1=NC=CC2=NC(S)C(C)N12.
What is the InChIKey of 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol?
The InChIKey is ANLJGIYWNJCPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-5-8(12)10-7-3-4-9-6(2)11(5)7/h3-5,8,12H,1-2H3.
What are the key properties of 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol?
3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol has a molecular weight of 181.26 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol is sourced from PubChem (CID 88792901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).