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

C9H15N3S — CID 106476210

IUPAC2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(CN(C)C)[nH]1
InChIInChI=1S/C9H15N3S/c1-4-7-5-9(13)11-8(10-7)6-12(2)3/h5H,4,6H2,1-3H3,(H,10,11,13)
InChIKeyKWAGCJFDMUGIJA-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.76
Rot. Bonds3

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

2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione (PubChem CID 106476210) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione
PubChem CID106476210
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(CN(C)C)[nH]1
InChIInChI=1S/C9H15N3S/c1-4-7-5-9(13)11-8(10-7)6-12(2)3/h5H,4,6H2,1-3H3,(H,10,11,13)
InChIKeyKWAGCJFDMUGIJA-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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-methyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 94077036
2-(2-Methyl-1,4-dihydropyrimidin-6-yl)propanethioamide
CID 123182298
6-Ethyl-2-methyl-pyrimidine-4-thiol
CID 64982511
6-ethyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077023
2-Methyl-6-propyl-pyrimidine-4-thiol
CID 94077037
2,6-diethyl-1H-pyrimidine-4-thione
CID 94077045
2-Ethyl-6-isopropyl-pyrimidine-4-thiol
CID 94077046
2-ethyl-6-propyl-1H-pyrimidine-4-thione
CID 94077047
2-(1,4-dimethylpiperazin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475132
2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475148
2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475169
2-(1,4-dimethyl-1,4-diazepan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475170

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione (CID 106476210) is 2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione is CCc1cc(=S)nc(CN(C)C)[nH]1.
What is the InChIKey of 2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione?
The InChIKey is KWAGCJFDMUGIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-4-7-5-9(13)11-8(10-7)6-12(2)3/h5H,4,6H2,1-3H3,(H,10,11,13).
What are the key properties of 2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione?
2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione has a molecular weight of 197.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).