1,3-dimethyl-5-(methylamino)-6-(methylideneamino)pyrimidine-2,4-dione

C8H12N4O2 — CID 155040111

IUPAC1,3-dimethyl-5-(methylamino)-6-(methylideneamino)pyrimidine-2,4-dione
SMILESC=Nc1c(NC)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H12N4O2/c1-9-5-6(10-2)11(3)8(14)12(4)7(5)13/h9H,2H2,1,3-4H3
InChIKeyYQHNRGAMOBPKIS-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.54
Rot. Bonds2

About 1,3-dimethyl-5-(methylamino)-6-(methylideneamino)pyrimidine-2,4-dione

1,3-dimethyl-5-(methylamino)-6-(methylideneamino)pyrimidine-2,4-dione (PubChem CID 155040111) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1,3-dimethyl-5-(methylamino)-6-(methylideneamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(methylamino)-6-(methylideneamino)pyrimidine-2,4-dione
PubChem CID155040111
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1,3-dimethyl-5-(methylamino)-6-(methylideneamino)pyrimidine-2,4-dione
SMILESC=Nc1c(NC)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H12N4O2/c1-9-5-6(10-2)11(3)8(14)12(4)7(5)13/h9H,2H2,1,3-4H3
InChIKeyYQHNRGAMOBPKIS-UHFFFAOYSA-N
XLogP-0.54
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(methylamino)-6-(methylideneamino)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(methylamino)-6-(methylideneamino)pyrimidine-2,4-dione (CID 155040111) is 1,3-dimethyl-5-(methylamino)-6-(methylideneamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(methylamino)-6-(methylideneamino)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(methylamino)-6-(methylideneamino)pyrimidine-2,4-dione is C=Nc1c(NC)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-5-(methylamino)-6-(methylideneamino)pyrimidine-2,4-dione?
The InChIKey is YQHNRGAMOBPKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-9-5-6(10-2)11(3)8(14)12(4)7(5)13/h9H,2H2,1,3-4H3.
What are the key properties of 1,3-dimethyl-5-(methylamino)-6-(methylideneamino)pyrimidine-2,4-dione?
1,3-dimethyl-5-(methylamino)-6-(methylideneamino)pyrimidine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(methylamino)-6-(methylideneamino)pyrimidine-2,4-dione is sourced from PubChem (CID 155040111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).