6-(methylaminomethyl)-1H-pyrimidine-2,4-dione

C6H9N3O2 — CID 60641297

IUPAC6-(methylaminomethyl)-1H-pyrimidine-2,4-dione
SMILESCNCc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C6H9N3O2/c1-7-3-4-2-5(10)9-6(11)8-4/h2,7H,3H2,1H3,(H2,8,9,10,11)
InChIKeyCEZDROXTBBVJAG-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.22
Rot. Bonds2

About 6-(methylaminomethyl)-1H-pyrimidine-2,4-dione

6-(methylaminomethyl)-1H-pyrimidine-2,4-dione (PubChem CID 60641297) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 6-(methylaminomethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(methylaminomethyl)-1H-pyrimidine-2,4-dione
PubChem CID60641297
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name6-(methylaminomethyl)-1H-pyrimidine-2,4-dione
SMILESCNCc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C6H9N3O2/c1-7-3-4-2-5(10)9-6(11)8-4/h2,7H,3H2,1H3,(H2,8,9,10,11)
InChIKeyCEZDROXTBBVJAG-UHFFFAOYSA-N
XLogP-1.22
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-oxobutyl)-1H-pyrimidine-2,4-dione
CID 83856785
N-(4-acetamidophenyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 110700119
6-[[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]methyl]-1H-pyrimidine-2,4-dione
CID 138057865
6-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione
CID 174340900
6-[[3-(trifluoromethyl)anilino]methyl]-1H-pyrimidine-2,4-dione
CID 134101628
N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-ethylsulfanylcyclohexane-1-carboxamide
CID 166278449
6-methyl-1H-pyrimidine-2,4-dione
CID 160901514
propan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
CID 10751009
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915109
N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 43601896
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427228
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037150

Frequently Asked Questions

What is the IUPAC name of 6-(methylaminomethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(methylaminomethyl)-1H-pyrimidine-2,4-dione (CID 60641297) is 6-(methylaminomethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(methylaminomethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(methylaminomethyl)-1H-pyrimidine-2,4-dione is CNCc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(methylaminomethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is CEZDROXTBBVJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-7-3-4-2-5(10)9-6(11)8-4/h2,7H,3H2,1H3,(H2,8,9,10,11).
What are the key properties of 6-(methylaminomethyl)-1H-pyrimidine-2,4-dione?
6-(methylaminomethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 155.16 g/mol, XLogP of -1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 60641297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).