2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione

C9H15N3S — CID 106476734

IUPAC2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(CN(C)C)nc(=S)c1C
InChIInChI=1S/C9H15N3S/c1-6-7(2)10-8(5-12(3)4)11-9(6)13/h5H2,1-4H3,(H,10,11,13)
InChIKeyJVJTZZPFURIIIB-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.82
Rot. Bonds2

About 2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione

2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106476734) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106476734
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(CN(C)C)nc(=S)c1C
InChIInChI=1S/C9H15N3S/c1-6-7(2)10-8(5-12(3)4)11-9(6)13/h5H2,1-4H3,(H,10,11,13)
InChIKeyJVJTZZPFURIIIB-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5,6-trimethyl-1H-pyrimidine-4-thione
CID 53976269
1,2,5,6-Tetramethylpyrimidine-4-thione
CID 156628600
2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475711
2-[2-(diethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476684
2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476703
2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476983
2-[(dimethylamino)methyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477993
2-[(dimethylamino)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478242
5-bromo-2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106479140
2-(azetidin-1-ylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 130725678

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106476734) is 2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione is Cc1[nH]c(CN(C)C)nc(=S)c1C.
What is the InChIKey of 2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is JVJTZZPFURIIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6-7(2)10-8(5-12(3)4)11-9(6)13/h5H2,1-4H3,(H,10,11,13).
What are the key properties of 2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione?
2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 197.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).