2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione

C9H15N3S — CID 21488402

IUPAC2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(N(C)C)nc1=S
InChIInChI=1S/C9H15N3S/c1-5-7-6(2)10-9(12(3)4)11-8(7)13/h5H2,1-4H3,(H,10,11,13)
InChIKeyDZCBIGZPCKJJHA-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.08
Rot. Bonds2

About 2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione

2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 21488402) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID21488402
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(N(C)C)nc1=S
InChIInChI=1S/C9H15N3S/c1-5-7-6(2)10-9(12(3)4)11-8(7)13/h5H2,1-4H3,(H,10,11,13)
InChIKeyDZCBIGZPCKJJHA-UHFFFAOYSA-N
XLogP2.08
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.08
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-Amino-5-ethyl-6-methylpyrimidine-4-thiol
CID 728853
5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 21488435
6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477939
5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 94076921
2-(dimethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106475070
2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475326
2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione
CID 106476081
2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476604
2-(diethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476721
5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106476824
5-ethyl-6-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476825
5-ethyl-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106476846

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione (CID 21488402) is 2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(N(C)C)nc1=S.
What is the InChIKey of 2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is DZCBIGZPCKJJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-5-7-6(2)10-9(12(3)4)11-8(7)13/h5H2,1-4H3,(H,10,11,13).
What are the key properties of 2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 197.31 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 21488402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).