2-sulfanylidene-3,4-dihydro-1H-imidazo[1,5-a]pyrimidine-8-carboxamide

C7H8N4OS — CID 10845548

IUPAC2-sulfanylidene-3,4-dihydro-1H-imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESNC(=O)c1ncn2c1NC(=S)CC2
InChIInChI=1S/C7H8N4OS/c8-6(12)5-7-10-4(13)1-2-11(7)3-9-5/h3H,1-2H2,(H2,8,12)(H,10,13)
InChIKeyXQDAIXZCTCKWTJ-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.12
Rot. Bonds1

About 2-sulfanylidene-3,4-dihydro-1H-imidazo[1,5-a]pyrimidine-8-carboxamide

2-sulfanylidene-3,4-dihydro-1H-imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 10845548) has the molecular formula C7H8N4OS and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-sulfanylidene-3,4-dihydro-1H-imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-sulfanylidene-3,4-dihydro-1H-imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID10845548
Molecular FormulaC7H8N4OS
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC Name2-sulfanylidene-3,4-dihydro-1H-imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESNC(=O)c1ncn2c1NC(=S)CC2
InChIInChI=1S/C7H8N4OS/c8-6(12)5-7-10-4(13)1-2-11(7)3-9-5/h3H,1-2H2,(H2,8,12)(H,10,13)
InChIKeyXQDAIXZCTCKWTJ-UHFFFAOYSA-N
XLogP0.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-3,4-dihydro-1H-imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-sulfanylidene-3,4-dihydro-1H-imidazo[1,5-a]pyrimidine-8-carboxamide (CID 10845548) is 2-sulfanylidene-3,4-dihydro-1H-imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-sulfanylidene-3,4-dihydro-1H-imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-sulfanylidene-3,4-dihydro-1H-imidazo[1,5-a]pyrimidine-8-carboxamide is NC(=O)c1ncn2c1NC(=S)CC2.
What is the InChIKey of 2-sulfanylidene-3,4-dihydro-1H-imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is XQDAIXZCTCKWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c8-6(12)5-7-10-4(13)1-2-11(7)3-9-5/h3H,1-2H2,(H2,8,12)(H,10,13).
What are the key properties of 2-sulfanylidene-3,4-dihydro-1H-imidazo[1,5-a]pyrimidine-8-carboxamide?
2-sulfanylidene-3,4-dihydro-1H-imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 196.23 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-3,4-dihydro-1H-imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 10845548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).