5-(aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+)

C6H8N3ORu — CID 145471989

IUPAC5-(aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+)
SMILESCc1ncc(CN)c(=O)[n-]1.[Ru+]
InChIInChI=1S/C6H9N3O.Ru/c1-4-8-3-5(2-7)6(10)9-4;/h3H,2,7H2,1H3,(H,8,9,10);/q;+1/p-1
InChIKeyUIJFKFSBEIFTSS-UHFFFAOYSA-M
MW239.22 g/mol
LogP-0.84
Rot. Bonds1

About 5-(aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+)

5-(aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+) (PubChem CID 145471989) has the molecular formula C6H8N3ORu and a molecular weight of 239.22 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+).

Molecular Properties

Compound Name5-(aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+)
PubChem CID145471989
Molecular FormulaC6H8N3ORu
Molecular Weight239.22 g/mol
Exact Mass239.97
IUPAC Name5-(aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+)
SMILESCc1ncc(CN)c(=O)[n-]1.[Ru+]
InChIInChI=1S/C6H9N3O.Ru/c1-4-8-3-5(2-7)6(10)9-4;/h3H,2,7H2,1H3,(H,8,9,10);/q;+1/p-1
InChIKeyUIJFKFSBEIFTSS-UHFFFAOYSA-M
XLogP-0.84
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
2,5-Dimethylpyrimidin-4-ol
CID 242454
2-(Fluoromethyl)-5-methylpyrimidin-4(3H)-one
CID 22947838
5-(aminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 104189956
5-Methyl-2-propylpyrimidin-4(3H)-one
CID 15335387
2-Ethyl-5-methylpyrimidin-4(1H)-one
CID 18360616
5-Methyl-2-(propan-2-yl)pyrimidin-4-ol
CID 24903844
4-Hydroxy-2-methylpyrimidine-5-carboxamide
CID 53426734
2,3-Dimethyl-5-[[methyl(propyl)amino]methyl]pyrimidin-4-one
CID 59881373
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride
CID 70283115
2-Methyl-1,4-dihydropyrimidine-5-carboxamide
CID 123440745

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+)?
The IUPAC name of 5-(aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+) (CID 145471989) is 5-(aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+).
What is the SMILES notation for 5-(aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+)?
The canonical SMILES for 5-(aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+) is Cc1ncc(CN)c(=O)[n-]1.[Ru+].
What is the InChIKey of 5-(aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+)?
The InChIKey is UIJFKFSBEIFTSS-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9N3O.Ru/c1-4-8-3-5(2-7)6(10)9-4;/h3H,2,7H2,1H3,(H,8,9,10);/q;+1/p-1.
What are the key properties of 5-(aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+)?
5-(aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+) has a molecular weight of 239.22 g/mol, XLogP of -0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+) is sourced from PubChem (CID 145471989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).