2-(cyclopropylamino)-1H-pyrimidine-6-thione

C7H9N3S — CID 123629443

IUPAC2-(cyclopropylamino)-1H-pyrimidine-6-thione
SMILESS=c1ccnc(NC2CC2)[nH]1
InChIInChI=1S/C7H9N3S/c11-6-3-4-8-7(10-6)9-5-1-2-5/h3-5H,1-2H2,(H2,8,9,10,11)
InChIKeyRMBXHNDJJMVRRX-UHFFFAOYSA-N
MW167.24 g/mol
LogP1.71
Rot. Bonds2

About 2-(cyclopropylamino)-1H-pyrimidine-6-thione

2-(cyclopropylamino)-1H-pyrimidine-6-thione (PubChem CID 123629443) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(cyclopropylamino)-1H-pyrimidine-6-thione
PubChem CID123629443
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name2-(cyclopropylamino)-1H-pyrimidine-6-thione
SMILESS=c1ccnc(NC2CC2)[nH]1
InChIInChI=1S/C7H9N3S/c11-6-3-4-8-7(10-6)9-5-1-2-5/h3-5H,1-2H2,(H2,8,9,10,11)
InChIKeyRMBXHNDJJMVRRX-UHFFFAOYSA-N
XLogP1.71
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Dimethylamino)-4(3H)-pyrimidinethione
CID 64829651
2-(methylamino)-1H-pyrimidine-6-thione
CID 141165945
6-(cyclopropylamino)-1H-pyrimidine-4-thione
CID 82457079

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(cyclopropylamino)-1H-pyrimidine-6-thione (CID 123629443) is 2-(cyclopropylamino)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(cyclopropylamino)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(cyclopropylamino)-1H-pyrimidine-6-thione is S=c1ccnc(NC2CC2)[nH]1.
What is the InChIKey of 2-(cyclopropylamino)-1H-pyrimidine-6-thione?
The InChIKey is RMBXHNDJJMVRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c11-6-3-4-8-7(10-6)9-5-1-2-5/h3-5H,1-2H2,(H2,8,9,10,11).
What are the key properties of 2-(cyclopropylamino)-1H-pyrimidine-6-thione?
2-(cyclopropylamino)-1H-pyrimidine-6-thione has a molecular weight of 167.24 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1H-pyrimidine-6-thione is sourced from PubChem (CID 123629443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).