6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione

C8H11N3S — CID 82457143

IUPAC6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NC2CC2)[nH]1
InChIInChI=1S/C8H11N3S/c1-5-9-7(4-8(12)10-5)11-6-2-3-6/h4,6H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyHVVJTPYHXBLHPS-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.02
Rot. Bonds2

About 6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione

6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione (PubChem CID 82457143) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione
PubChem CID82457143
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NC2CC2)[nH]1
InChIInChI=1S/C8H11N3S/c1-5-9-7(4-8(12)10-5)11-6-2-3-6/h4,6H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyHVVJTPYHXBLHPS-UHFFFAOYSA-N
XLogP2.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.02
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

6-(cyclopropylamino)-1H-pyrimidine-4-thione
CID 82457079
6-(butan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457108
2-methyl-6-(methylamino)-1H-pyrimidine-4-thione
CID 82457140
6-(ethylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457141
2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457142
6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457151
2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
CID 82457159
6-(cyclopentylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457163
6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457166
6-(butan-2-ylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457171
2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione
CID 82457172
2-methyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione
CID 82457175

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione (CID 82457143) is 6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione is Cc1nc(=S)cc(NC2CC2)[nH]1.
What is the InChIKey of 6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione?
The InChIKey is HVVJTPYHXBLHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-5-9-7(4-8(12)10-5)11-6-2-3-6/h4,6H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione?
6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione has a molecular weight of 181.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).