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

C9H15N3S — CID 106475698

IUPAC2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)cc(C)[nH]1
InChIInChI=1S/C9H15N3S/c1-4-12(5-2)9-10-7(3)6-8(13)11-9/h6H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyOWSWXRUFBIABSN-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.29
Rot. Bonds3

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

2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475698) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475698
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)cc(C)[nH]1
InChIInChI=1S/C9H15N3S/c1-4-12(5-2)9-10-7(3)6-8(13)11-9/h6H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyOWSWXRUFBIABSN-UHFFFAOYSA-N
XLogP2.29
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 21488478
ethane;3-methyl-1H-imidazo[1,2-c]pyrimidine-7-thione
CID 155748378
6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 17606449
6-methyl-2-(methylamino)-1H-pyrimidine-4-thione
CID 17606465
6-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 33701702
2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106475190
2-(diethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475443
6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106475554
2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475711
2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione
CID 106476081
2-(diethylamino)-6-ethyl-1H-pyrimidine-4-thione
CID 106476197
2-(diethylamino)-1H-pyrimidine-6-thione
CID 106476465

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione (CID 106475698) is 2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione is CCN(CC)c1nc(=S)cc(C)[nH]1.
What is the InChIKey of 2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is OWSWXRUFBIABSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-4-12(5-2)9-10-7(3)6-8(13)11-9/h6H,4-5H2,1-3H3,(H,10,11,13).
What are the key properties of 2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione?
2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 197.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).