6-Propyl-2-selenouracil

C7H9N2OSe — CID 135412657

IUPAC—
SMILESCCCc1cc(=O)[nH]c([Se])n1
InChIInChI=1S/C7H9N2OSe/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H,8,9,10)
InChIKeyZXJNANZNCFMKTL-UHFFFAOYSA-N
MW216.12 g/mol
LogP-0.48
Rot. Bonds2

About 6-Propyl-2-selenouracil

6-Propyl-2-selenouracil (PubChem CID 135412657) has the molecular formula C7H9N2OSe and a molecular weight of 216.12 g/mol.

Molecular Properties

Compound Name6-Propyl-2-selenouracil
PubChem CID135412657
Molecular FormulaC7H9N2OSe
Molecular Weight216.12 g/mol
Exact Mass216.99
IUPAC Name—
SMILESCCCc1cc(=O)[nH]c([Se])n1
InChIInChI=1S/C7H9N2OSe/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H,8,9,10)
InChIKeyZXJNANZNCFMKTL-UHFFFAOYSA-N
XLogP-0.48
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 5-0.48
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-methyl-4-propyl-1H-pyrimidin-6-one
CID 135624230
2-amino-4-propyl-1H-pyrimidin-6-one;azane
CID 167462255
2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one
CID 135973670
4-propyl-2-[tris(trimethylsilyl)methylselanylsulfanyl]-1H-pyrimidin-6-one
CID 136727770
2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
CID 137005901
2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136930623
4-propyl-2-pyrimidin-2-ylsulfanyl-1H-pyrimidin-6-one
CID 136680347
2-(1,2-oxazol-3-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135998670
2-(3,4-dihydroxyphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136938589
2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 155811457
2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135893852
2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-propyl-1H-pyrimidin-6-one
CID 136965468

Frequently Asked Questions

What is the IUPAC name of 6-Propyl-2-selenouracil?
The IUPAC name of 6-Propyl-2-selenouracil (CID 135412657) is not available.
What is the SMILES notation for 6-Propyl-2-selenouracil?
The canonical SMILES for 6-Propyl-2-selenouracil is CCCc1cc(=O)[nH]c([Se])n1.
What is the InChIKey of 6-Propyl-2-selenouracil?
The InChIKey is ZXJNANZNCFMKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2OSe/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H,8,9,10).
What are the key properties of 6-Propyl-2-selenouracil?
6-Propyl-2-selenouracil has a molecular weight of 216.12 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-Propyl-2-selenouracil is sourced from PubChem (CID 135412657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).