2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione

C8H11N3S — CID 82457159

IUPAC2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
SMILESC=CCNc1cc(=S)nc(C)[nH]1
InChIInChI=1S/C8H11N3S/c1-3-4-9-7-5-8(12)11-6(2)10-7/h3,5H,1,4H2,2H3,(H2,9,10,11,12)
InChIKeyDLHATMAQNDZISG-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.05
Rot. Bonds3

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

2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione (PubChem CID 82457159) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
PubChem CID82457159
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
SMILESC=CCNc1cc(=S)nc(C)[nH]1
InChIInChI=1S/C8H11N3S/c1-3-4-9-7-5-8(12)11-6(2)10-7/h3,5H,1,4H2,2H3,(H2,9,10,11,12)
InChIKeyDLHATMAQNDZISG-UHFFFAOYSA-N
XLogP2.05
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(ethylamino)-1H-pyrimidine-4-thione
CID 4162666
6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene
CID 143033433
6-(ethylamino)-1H-pyrimidine-4-thione
CID 82457077
6-(prop-2-enylamino)-1H-pyrimidine-4-thione
CID 82457095
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-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457143
6-(hexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457144
6-[2-(diethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457147
6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457151
6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457160

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione (CID 82457159) is 2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione is C=CCNc1cc(=S)nc(C)[nH]1.
What is the InChIKey of 2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione?
The InChIKey is DLHATMAQNDZISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-3-4-9-7-5-8(12)11-6(2)10-7/h3,5H,1,4H2,2H3,(H2,9,10,11,12).
What are the key properties of 2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione?
2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione has a molecular weight of 181.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).