6-methyl-5-pentyl-2-sulfanylidene-1H-pyrimidin-4-one

C10H16N2OS — CID 2730675

IUPAC6-methyl-5-pentyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCCCCCc1c(C)[nH]c(=S)[nH]c1=O
InChIInChI=1S/C10H16N2OS/c1-3-4-5-6-8-7(2)11-10(14)12-9(8)13/h3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyZVZPDHKUUVROKS-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.47
Rot. Bonds4

About 6-methyl-5-pentyl-2-sulfanylidene-1H-pyrimidin-4-one

6-methyl-5-pentyl-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 2730675) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 6-methyl-5-pentyl-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-5-pentyl-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID2730675
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name6-methyl-5-pentyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCCCCCc1c(C)[nH]c(=S)[nH]c1=O
InChIInChI=1S/C10H16N2OS/c1-3-4-5-6-8-7(2)11-10(14)12-9(8)13/h3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyZVZPDHKUUVROKS-UHFFFAOYSA-N
XLogP2.47
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-pentyl-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-methyl-5-pentyl-2-sulfanylidene-1H-pyrimidin-4-one (CID 2730675) is 6-methyl-5-pentyl-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-methyl-5-pentyl-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-methyl-5-pentyl-2-sulfanylidene-1H-pyrimidin-4-one is CCCCCc1c(C)[nH]c(=S)[nH]c1=O.
What is the InChIKey of 6-methyl-5-pentyl-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is ZVZPDHKUUVROKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-4-5-6-8-7(2)11-10(14)12-9(8)13/h3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 6-methyl-5-pentyl-2-sulfanylidene-1H-pyrimidin-4-one?
6-methyl-5-pentyl-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 212.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-pentyl-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 2730675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).