1,2-dimethyl-4,5-dihydropyrimidine-6-thione

C6H10N2S — CID 143834373

IUPAC1,2-dimethyl-4,5-dihydropyrimidine-6-thione
SMILESCC1=NCCC(=S)N1C
InChIInChI=1S/C6H10N2S/c1-5-7-4-3-6(9)8(5)2/h3-4H2,1-2H3
InChIKeyXERQEOCJDJNEPF-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.07
Rot. Bonds

About 1,2-dimethyl-4,5-dihydropyrimidine-6-thione

1,2-dimethyl-4,5-dihydropyrimidine-6-thione (PubChem CID 143834373) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 1,2-dimethyl-4,5-dihydropyrimidine-6-thione.

Molecular Properties

Compound Name1,2-dimethyl-4,5-dihydropyrimidine-6-thione
PubChem CID143834373
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name1,2-dimethyl-4,5-dihydropyrimidine-6-thione
SMILESCC1=NCCC(=S)N1C
InChIInChI=1S/C6H10N2S/c1-5-7-4-3-6(9)8(5)2/h3-4H2,1-2H3
InChIKeyXERQEOCJDJNEPF-UHFFFAOYSA-N
XLogP1.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-
CID 77953
1,2,3-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium
CID 499194
1-Ethyl-1,4,5,6-tetrahydro-2-methylpyrimidine
CID 12762324
1-methyl-5,6-dihydro-4H-pyrimidine-2-carbothialdehyde
CID 123750285
2,3-Dimethyl-4,5-dihydropyrimidine-6-thione
CID 143608673
1,1,2-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium
CID 150196935
(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methanethiol
CID 163429469

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4,5-dihydropyrimidine-6-thione?
The IUPAC name of 1,2-dimethyl-4,5-dihydropyrimidine-6-thione (CID 143834373) is 1,2-dimethyl-4,5-dihydropyrimidine-6-thione.
What is the SMILES notation for 1,2-dimethyl-4,5-dihydropyrimidine-6-thione?
The canonical SMILES for 1,2-dimethyl-4,5-dihydropyrimidine-6-thione is CC1=NCCC(=S)N1C.
What is the InChIKey of 1,2-dimethyl-4,5-dihydropyrimidine-6-thione?
The InChIKey is XERQEOCJDJNEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-5-7-4-3-6(9)8(5)2/h3-4H2,1-2H3.
What are the key properties of 1,2-dimethyl-4,5-dihydropyrimidine-6-thione?
1,2-dimethyl-4,5-dihydropyrimidine-6-thione has a molecular weight of 142.23 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4,5-dihydropyrimidine-6-thione is sourced from PubChem (CID 143834373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).