2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione

C9H15N3S — CID 82457205

IUPAC2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NC(C)C)[nH]1
InChIInChI=1S/C9H15N3S/c1-4-7-11-8(10-6(2)3)5-9(13)12-7/h5-6H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyWMTUIRSIHTYNKA-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.52
Rot. Bonds3

About 2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione

2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione (PubChem CID 82457205) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
PubChem CID82457205
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NC(C)C)[nH]1
InChIInChI=1S/C9H15N3S/c1-4-7-11-8(10-6(2)3)5-9(13)12-7/h5-6H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyWMTUIRSIHTYNKA-UHFFFAOYSA-N
XLogP2.52
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.52
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-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457078
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-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457143
6-(hexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457144
6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457151
2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
CID 82457159
6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457160
6-(cyclopentylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457163
6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457166

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione (CID 82457205) is 2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione is CCc1nc(=S)cc(NC(C)C)[nH]1.
What is the InChIKey of 2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
The InChIKey is WMTUIRSIHTYNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-4-7-11-8(10-6(2)3)5-9(13)12-7/h5-6H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione?
2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione has a molecular weight of 197.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).