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

C10H17N3S — CID 106476983

IUPAC2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(CN(C)C)nc1=S
InChIInChI=1S/C10H17N3S/c1-5-8-7(2)11-9(6-13(3)4)12-10(8)14/h5-6H2,1-4H3,(H,11,12,14)
InChIKeyIMUMXMQUPIKIBW-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.07
Rot. Bonds3

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

2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106476983) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID106476983
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(CN(C)C)nc1=S
InChIInChI=1S/C10H17N3S/c1-5-8-7(2)11-9(6-13(3)4)12-10(8)14/h5-6H2,1-4H3,(H,11,12,14)
InChIKeyIMUMXMQUPIKIBW-UHFFFAOYSA-N
XLogP2.07
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.07
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-ethyl-6-methyl-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

5-ethyl-2,6-dimethyl-1H-pyrimidine-4-thione
CID 94077039
2-[(dimethylamino)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475204
2-[(dimethylamino)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475458
6-tert-butyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione
CID 106475965
2-[(dimethylamino)methyl]-6-ethyl-1H-pyrimidine-4-thione
CID 106476210
2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476734
5-ethyl-6-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106476844
2-(1,4-dimethylpiperazin-2-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476915
2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476931
2-[2-(dimethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476950
2-(1,4-dimethyl-1,4-diazepan-2-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476951
2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476970

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione (CID 106476983) is 2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(CN(C)C)nc1=S.
What is the InChIKey of 2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is IMUMXMQUPIKIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-5-8-7(2)11-9(6-13(3)4)12-10(8)14/h5-6H2,1-4H3,(H,11,12,14).
What are the key properties of 2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 211.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).