2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine

C5H8N2S2 — CID 90818653

IUPAC2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine
SMILESCC1C=NC(SS)=NC1
InChIInChI=1S/C5H8N2S2/c1-4-2-6-5(9-8)7-3-4/h2,4,8H,3H2,1H3
InChIKeyRCUSYCZLUNLRNG-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.64
Rot. Bonds

About 2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine

2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine (PubChem CID 90818653) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine.

Molecular Properties

Compound Name2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine
PubChem CID90818653
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine
SMILESCC1C=NC(SS)=NC1
InChIInChI=1S/C5H8N2S2/c1-4-2-6-5(9-8)7-3-4/h2,4,8H,3H2,1H3
InChIKeyRCUSYCZLUNLRNG-UHFFFAOYSA-N
XLogP1.64
TPSA24.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-propan-2-yl-4,5-dihydropyrimidine
CID 138457030
3-methyl-3,4-dihydro-2H-azepin-7-amine
CID 143009817
(3R)-3,6-dimethyl-3,4-dihydropyridine
CID 89130617
3-methyl-6-phenyl-2,3-dihydropyridine
CID 142097039
8-tert-butyl-3-methyl-3,4-dihydroquinoline
CID 129231325
5-methyl-4,5-dihydrotriazine
CID 123713272
6-iodo-3-methyl-5-phenyl-2,3-dihydropyridine
CID 163958726
(4R)-4-methyl-4,5-dihydropyridazine
CID 172589325
6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one
CID 142458893
6-(chloromethyl)-3-methyl-2,3-dihydropyridine
CID 91208172
5-iodo-N-[(1R)-1-phenylethyl]-4,5-dihydropyrimidin-2-amine
CID 154981821
1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine
CID 91119270

Frequently Asked Questions

What is the IUPAC name of 2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine?
The IUPAC name of 2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine (CID 90818653) is 2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine.
What is the SMILES notation for 2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine?
The canonical SMILES for 2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine is CC1C=NC(SS)=NC1.
What is the InChIKey of 2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine?
The InChIKey is RCUSYCZLUNLRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c1-4-2-6-5(9-8)7-3-4/h2,4,8H,3H2,1H3.
What are the key properties of 2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine?
2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine has a molecular weight of 160.27 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine is sourced from PubChem (CID 90818653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).