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

C10H17N3S — CID 106476703

IUPAC2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(CCN(C)C)nc(=S)c1C
InChIInChI=1S/C10H17N3S/c1-7-8(2)11-9(12-10(7)14)5-6-13(3)4/h5-6H2,1-4H3,(H,11,12,14)
InChIKeyHMFPJUDKUMMSMR-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.86
Rot. Bonds3

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

2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106476703) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106476703
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(CCN(C)C)nc(=S)c1C
InChIInChI=1S/C10H17N3S/c1-7-8(2)11-9(12-10(7)14)5-6-13(3)4/h5-6H2,1-4H3,(H,11,12,14)
InChIKeyHMFPJUDKUMMSMR-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
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

2,5,6-Trimethyl-3-propan-2-ylpyrimidine-4-thione
CID 117733729
5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione
CID 82505499
5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077026
2-ethyl-5,6-dimethyl-1H-pyrimidine-4-thione
CID 94077048
2-[2-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475661
2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475678
6-tert-butyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione
CID 106475929
2-tert-butyl-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476580
2-(1,4-dimethylpiperazin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476669
2-[2-(diethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476684
2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476734
2-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476741

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106476703) is 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione is Cc1[nH]c(CCN(C)C)nc(=S)c1C.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is HMFPJUDKUMMSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7-8(2)11-9(12-10(7)14)5-6-13(3)4/h5-6H2,1-4H3,(H,11,12,14).
What are the key properties of 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione?
2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 211.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).