4-methyl-2-propylselanyl-1H-pyrimidin-6-one

C8H12N2OSe — CID 136704051

IUPAC4-methyl-2-propylselanyl-1H-pyrimidin-6-one
SMILESCCC[Se]c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C8H12N2OSe/c1-3-4-12-8-9-6(2)5-7(11)10-8/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyVHLUINCBRCWVSC-UHFFFAOYSA-N
MW231.16 g/mol
LogP0.24
Rot. Bonds3

About 4-methyl-2-propylselanyl-1H-pyrimidin-6-one

4-methyl-2-propylselanyl-1H-pyrimidin-6-one (PubChem CID 136704051) has the molecular formula C8H12N2OSe and a molecular weight of 231.16 g/mol. Its IUPAC name is 4-methyl-2-propylselanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-propylselanyl-1H-pyrimidin-6-one
PubChem CID136704051
Molecular FormulaC8H12N2OSe
Molecular Weight231.16 g/mol
Exact Mass232.01
IUPAC Name4-methyl-2-propylselanyl-1H-pyrimidin-6-one
SMILESCCC[Se]c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C8H12N2OSe/c1-3-4-12-8-9-6(2)5-7(11)10-8/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyVHLUINCBRCWVSC-UHFFFAOYSA-N
XLogP0.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzylselanyl-4-methyl-1H-pyrimidin-6-one
CID 136704053
2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one
CID 136997551
4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135840406
zinc;bis(4-methyl-6-oxo-1H-pyrimidine-2-thiolate);trihydrate
CID 135691060
2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one
CID 136773443
(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoic acid
CID 135702301
2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136930619
(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate
CID 135554801
4-ethyl-2-methyl-1H-pyrimidin-6-one;propane
CID 171619241
ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 145166699
benzene-1,3,5-triol;tris(2,4-dimethyl-1H-pyrimidin-6-one)
CID 139064568

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propylselanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-propylselanyl-1H-pyrimidin-6-one (CID 136704051) is 4-methyl-2-propylselanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-propylselanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-propylselanyl-1H-pyrimidin-6-one is CCC[Se]c1nc(C)cc(=O)[nH]1.
What is the InChIKey of 4-methyl-2-propylselanyl-1H-pyrimidin-6-one?
The InChIKey is VHLUINCBRCWVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OSe/c1-3-4-12-8-9-6(2)5-7(11)10-8/h5H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 4-methyl-2-propylselanyl-1H-pyrimidin-6-one?
4-methyl-2-propylselanyl-1H-pyrimidin-6-one has a molecular weight of 231.16 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propylselanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136704051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).