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

C8H13N3S — CID 106476604

IUPAC2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N(C)C)nc(=S)c1C
InChIInChI=1S/C8H13N3S/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)
InChIKeyINFKVYMRLPWYMT-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.82
Rot. Bonds1

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

2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106476604) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106476604
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N(C)C)nc(=S)c1C
InChIInChI=1S/C8H13N3S/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)
InChIKeyINFKVYMRLPWYMT-UHFFFAOYSA-N
XLogP1.82
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.82
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-(dimethylamino)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 21132452
2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 21488402
2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 21488478
5,6-dimethyl-1H-pyrimidine-4-thione
CID 45071758
2-amino-5,6-dimethyl-1H-pyrimidine-4-thione
CID 45071863
5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476578
2-(diethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476721
2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476970
2-(dimethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477859
2-(dimethylamino)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478109
2-(diethylamino)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478229
5-bromo-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 106479003

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106476604) is 2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione is Cc1[nH]c(N(C)C)nc(=S)c1C.
What is the InChIKey of 2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is INFKVYMRLPWYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12).
What are the key properties of 2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione?
2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 183.28 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).