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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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).