7,7-dimethyl-5-sulfanylidene-1,6,8,8a-tetrahydroimidazo[1,2-c]pyrimidine-2,3-dicarbonitrile

C10H11N5S — CID 11572195

IUPAC7,7-dimethyl-5-sulfanylidene-1,6,8,8a-tetrahydroimidazo[1,2-c]pyrimidine-2,3-dicarbonitrile
SMILESCC1(C)CC2NC(C#N)=C(C#N)N2C(=S)N1
InChIInChI=1S/C10H11N5S/c1-10(2)3-8-13-6(4-11)7(5-12)15(8)9(16)14-10/h8,13H,3H2,1-2H3,(H,14,16)
InChIKeyIWOKPWOCZKULMI-UHFFFAOYSA-N
MW233.30 g/mol
LogP0.53
Rot. Bonds

About 7,7-dimethyl-5-sulfanylidene-1,6,8,8a-tetrahydroimidazo[1,2-c]pyrimidine-2,3-dicarbonitrile

7,7-dimethyl-5-sulfanylidene-1,6,8,8a-tetrahydroimidazo[1,2-c]pyrimidine-2,3-dicarbonitrile (PubChem CID 11572195) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 7,7-dimethyl-5-sulfanylidene-1,6,8,8a-tetrahydroimidazo[1,2-c]pyrimidine-2,3-dicarbonitrile.

Molecular Properties

Compound Name7,7-dimethyl-5-sulfanylidene-1,6,8,8a-tetrahydroimidazo[1,2-c]pyrimidine-2,3-dicarbonitrile
PubChem CID11572195
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name7,7-dimethyl-5-sulfanylidene-1,6,8,8a-tetrahydroimidazo[1,2-c]pyrimidine-2,3-dicarbonitrile
SMILESCC1(C)CC2NC(C#N)=C(C#N)N2C(=S)N1
InChIInChI=1S/C10H11N5S/c1-10(2)3-8-13-6(4-11)7(5-12)15(8)9(16)14-10/h8,13H,3H2,1-2H3,(H,14,16)
InChIKeyIWOKPWOCZKULMI-UHFFFAOYSA-N
XLogP0.53
TPSA74.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-Methyl-5-thioxo-1,5,6,7,8,8a-hexahydro-imidazo[1,2-c]pyrimidine-2,3-dicarbonitrile
CID 129885824
7,7,8a-trimethyl-5-sulfanylidene-6,8-dihydro-1H-imidazo[1,2-c]pyrimidine-2,3-dicarbonitrile
CID 11687426

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-sulfanylidene-1,6,8,8a-tetrahydroimidazo[1,2-c]pyrimidine-2,3-dicarbonitrile?
The IUPAC name of 7,7-dimethyl-5-sulfanylidene-1,6,8,8a-tetrahydroimidazo[1,2-c]pyrimidine-2,3-dicarbonitrile (CID 11572195) is 7,7-dimethyl-5-sulfanylidene-1,6,8,8a-tetrahydroimidazo[1,2-c]pyrimidine-2,3-dicarbonitrile.
What is the SMILES notation for 7,7-dimethyl-5-sulfanylidene-1,6,8,8a-tetrahydroimidazo[1,2-c]pyrimidine-2,3-dicarbonitrile?
The canonical SMILES for 7,7-dimethyl-5-sulfanylidene-1,6,8,8a-tetrahydroimidazo[1,2-c]pyrimidine-2,3-dicarbonitrile is CC1(C)CC2NC(C#N)=C(C#N)N2C(=S)N1.
What is the InChIKey of 7,7-dimethyl-5-sulfanylidene-1,6,8,8a-tetrahydroimidazo[1,2-c]pyrimidine-2,3-dicarbonitrile?
The InChIKey is IWOKPWOCZKULMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c1-10(2)3-8-13-6(4-11)7(5-12)15(8)9(16)14-10/h8,13H,3H2,1-2H3,(H,14,16).
What are the key properties of 7,7-dimethyl-5-sulfanylidene-1,6,8,8a-tetrahydroimidazo[1,2-c]pyrimidine-2,3-dicarbonitrile?
7,7-dimethyl-5-sulfanylidene-1,6,8,8a-tetrahydroimidazo[1,2-c]pyrimidine-2,3-dicarbonitrile has a molecular weight of 233.30 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-sulfanylidene-1,6,8,8a-tetrahydroimidazo[1,2-c]pyrimidine-2,3-dicarbonitrile is sourced from PubChem (CID 11572195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).