7-amino-1-methylimidazo[1,2-c]pyrimidine-5-thione

C7H8N4S — CID 10375032

IUPAC7-amino-1-methylimidazo[1,2-c]pyrimidine-5-thione
SMILESCn1ccn2c(=S)nc(N)cc12
InChIInChI=1S/C7H8N4S/c1-10-2-3-11-6(10)4-5(8)9-7(11)12/h2-4H,1H3,(H2,8,9,12)
InChIKeyANCOOTRVORFCNJ-UHFFFAOYSA-N
MW180.24 g/mol
LogP0.98
Rot. Bonds

About 7-amino-1-methylimidazo[1,2-c]pyrimidine-5-thione

7-amino-1-methylimidazo[1,2-c]pyrimidine-5-thione (PubChem CID 10375032) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 7-amino-1-methylimidazo[1,2-c]pyrimidine-5-thione.

Molecular Properties

Compound Name7-amino-1-methylimidazo[1,2-c]pyrimidine-5-thione
PubChem CID10375032
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name7-amino-1-methylimidazo[1,2-c]pyrimidine-5-thione
SMILESCn1ccn2c(=S)nc(N)cc12
InChIInChI=1S/C7H8N4S/c1-10-2-3-11-6(10)4-5(8)9-7(11)12/h2-4H,1H3,(H2,8,9,12)
InChIKeyANCOOTRVORFCNJ-UHFFFAOYSA-N
XLogP0.98
TPSA48.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 7-amino-1-methylimidazo[1,2-c]pyrimidine-5-thione?
The IUPAC name of 7-amino-1-methylimidazo[1,2-c]pyrimidine-5-thione (CID 10375032) is 7-amino-1-methylimidazo[1,2-c]pyrimidine-5-thione.
What is the SMILES notation for 7-amino-1-methylimidazo[1,2-c]pyrimidine-5-thione?
The canonical SMILES for 7-amino-1-methylimidazo[1,2-c]pyrimidine-5-thione is Cn1ccn2c(=S)nc(N)cc12.
What is the InChIKey of 7-amino-1-methylimidazo[1,2-c]pyrimidine-5-thione?
The InChIKey is ANCOOTRVORFCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-10-2-3-11-6(10)4-5(8)9-7(11)12/h2-4H,1H3,(H2,8,9,12).
What are the key properties of 7-amino-1-methylimidazo[1,2-c]pyrimidine-5-thione?
7-amino-1-methylimidazo[1,2-c]pyrimidine-5-thione has a molecular weight of 180.24 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-methylimidazo[1,2-c]pyrimidine-5-thione is sourced from PubChem (CID 10375032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).