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

C8H12ClN3S — CID 88792900

IUPAC3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol;hydrochloride
SMILESCC1=NC=CC2=NC(S)C(C)N12.Cl
InChIInChI=1S/C8H11N3S.ClH/c1-5-8(12)10-7-3-4-9-6(2)11(5)7;/h3-5,8,12H,1-2H3;1H
InChIKeyJTNPLHGUNLAPQE-UHFFFAOYSA-N
MW217.73 g/mol
LogP1.71
Rot. Bonds

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

3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol;hydrochloride (PubChem CID 88792900) has the molecular formula C8H12ClN3S and a molecular weight of 217.73 g/mol. Its IUPAC name is 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol;hydrochloride
PubChem CID88792900
Molecular FormulaC8H12ClN3S
Molecular Weight217.73 g/mol
Exact Mass217.04
IUPAC Name3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol;hydrochloride
SMILESCC1=NC=CC2=NC(S)C(C)N12.Cl
InChIInChI=1S/C8H11N3S.ClH/c1-5-8(12)10-7-3-4-9-6(2)11(5)7;/h3-5,8,12H,1-2H3;1H
InChIKeyJTNPLHGUNLAPQE-UHFFFAOYSA-N
XLogP1.71
TPSA27.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.73
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol;hydrochloride?
The IUPAC name of 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol;hydrochloride (CID 88792900) is 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol;hydrochloride?
The canonical SMILES for 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol;hydrochloride is CC1=NC=CC2=NC(S)C(C)N12.Cl.
What is the InChIKey of 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol;hydrochloride?
The InChIKey is JTNPLHGUNLAPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S.ClH/c1-5-8(12)10-7-3-4-9-6(2)11(5)7;/h3-5,8,12H,1-2H3;1H.
What are the key properties of 3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol;hydrochloride?
3,5-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidine-2-thiol;hydrochloride has a molecular weight of 217.73 g/mol, XLogP of 1.71, 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;hydrochloride is sourced from PubChem (CID 88792900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).