5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione

C8H12N2O2S — CID 143198269

IUPAC5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(S)c(C)c1=O
InChIInChI=1S/C8H12N2O2S/c1-3-4-10-7(11)5(2)6(13)9-8(10)12/h13H,3-4H2,1-2H3,(H,9,12)
InChIKeyDIOXUPHKIHKHAU-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.54
Rot. Bonds2

About 5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione

5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione (PubChem CID 143198269) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione
PubChem CID143198269
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(S)c(C)c1=O
InChIInChI=1S/C8H12N2O2S/c1-3-4-10-7(11)5(2)6(13)9-8(10)12/h13H,3-4H2,1-2H3,(H,9,12)
InChIKeyDIOXUPHKIHKHAU-UHFFFAOYSA-N
XLogP0.54
TPSA54.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one
CID 90737377
4,5-dimethyl-3-propyl-1H-imidazol-2-one
CID 131155621
6-methyl-3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
CID 97357729
5-methyl-3-propyl-1H-quinazoline-2,4-dione
CID 117261036
3-methyl-5-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione
CID 57306637
8-chloro-1-propyl-3,7-dihydropurine-2,6-dione
CID 86811838
5-bromo-3-butyl-6-methyl-1H-pyrimidine-2,4-dione
CID 54098317
5-fluoro-3-propyl-1H-quinazoline-2,4-dione
CID 117261040
6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione
CID 94075074
6-amino-1-ethyl-5-methyl-3-propylpyrimidine-2,4-dione
CID 143218476
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
8-methoxy-3-propyl-1H-quinazoline-2,4-dione
CID 117261902

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione (CID 143198269) is 5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione is CCCn1c(=O)[nH]c(S)c(C)c1=O.
What is the InChIKey of 5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione?
The InChIKey is DIOXUPHKIHKHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-3-4-10-7(11)5(2)6(13)9-8(10)12/h13H,3-4H2,1-2H3,(H,9,12).
What are the key properties of 5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione?
5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione has a molecular weight of 200.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propyl-6-sulfanyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 143198269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).