6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione

C10H10N4S — CID 136696572

IUPAC6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]c(-c2ncc[nH]2)n1
InChIInChI=1S/C10H10N4S/c15-8-5-7(6-1-2-6)13-10(14-8)9-11-3-4-12-9/h3-6H,1-2H2,(H,11,12)(H,13,14,15)
InChIKeyBRMZNJIRRPCPKT-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.41
Rot. Bonds2

About 6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione

6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione (PubChem CID 136696572) has the molecular formula C10H10N4S and a molecular weight of 218.28 g/mol. Its IUPAC name is 6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione
PubChem CID136696572
Molecular FormulaC10H10N4S
Molecular Weight218.28 g/mol
Exact Mass218.06
IUPAC Name6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]c(-c2ncc[nH]2)n1
InChIInChI=1S/C10H10N4S/c15-8-5-7(6-1-2-6)13-10(14-8)9-11-3-4-12-9/h3-6H,1-2H2,(H,11,12)(H,13,14,15)
InChIKeyBRMZNJIRRPCPKT-UHFFFAOYSA-N
XLogP2.41
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione (CID 136696572) is 6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione is S=c1cc(C2CC2)[nH]c(-c2ncc[nH]2)n1.
What is the InChIKey of 6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is BRMZNJIRRPCPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c15-8-5-7(6-1-2-6)13-10(14-8)9-11-3-4-12-9/h3-6H,1-2H2,(H,11,12)(H,13,14,15).
What are the key properties of 6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione?
6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 218.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 136696572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).