ethane;3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione

C9H13N3S — CID 155748378

IUPACethane;3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione
SMILESCC.Cc1c[nH]c2cc(=S)ncn12
InChIInChI=1S/C7H7N3S.C2H6/c1-5-3-8-6-2-7(11)9-4-10(5)6;1-2/h2-4,8H,1H3;1-2H3
InChIKeyRJEFBBHPHKGOJG-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.73
Rot. Bonds

About ethane;3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione

ethane;3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione (PubChem CID 155748378) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is ethane;3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione.

Molecular Properties

Compound Nameethane;3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione
PubChem CID155748378
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Nameethane;3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione
SMILESCC.Cc1c[nH]c2cc(=S)ncn12
InChIInChI=1S/C7H7N3S.C2H6/c1-5-3-8-6-2-7(11)9-4-10(5)6;1-2/h2-4,8H,1H3;1-2H3
InChIKeyRJEFBBHPHKGOJG-UHFFFAOYSA-N
XLogP2.73
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 106475698
3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione
CID 155748379

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione?
The IUPAC name of ethane;3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione (CID 155748378) is ethane;3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione.
What is the SMILES notation for ethane;3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione?
The canonical SMILES for ethane;3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione is CC.Cc1c[nH]c2cc(=S)ncn12.
What is the InChIKey of ethane;3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione?
The InChIKey is RJEFBBHPHKGOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S.C2H6/c1-5-3-8-6-2-7(11)9-4-10(5)6;1-2/h2-4,8H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione?
ethane;3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione has a molecular weight of 195.29 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione is sourced from PubChem (CID 155748378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).