5-(dimethylamino)-3-methyl-6-(methylideneamino)-1H-pyrimidine-2,4-dione

C8H12N4O2 — CID 146974756

IUPAC5-(dimethylamino)-3-methyl-6-(methylideneamino)-1H-pyrimidine-2,4-dione
SMILESC=Nc1[nH]c(=O)n(C)c(=O)c1N(C)C
InChIInChI=1S/C8H12N4O2/c1-9-6-5(11(2)3)7(13)12(4)8(14)10-6/h1H2,2-4H3,(H,10,14)
InChIKeyANCXPTUKOQCYOU-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.53
Rot. Bonds2

About 5-(dimethylamino)-3-methyl-6-(methylideneamino)-1H-pyrimidine-2,4-dione

5-(dimethylamino)-3-methyl-6-(methylideneamino)-1H-pyrimidine-2,4-dione (PubChem CID 146974756) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-(dimethylamino)-3-methyl-6-(methylideneamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(dimethylamino)-3-methyl-6-(methylideneamino)-1H-pyrimidine-2,4-dione
PubChem CID146974756
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name5-(dimethylamino)-3-methyl-6-(methylideneamino)-1H-pyrimidine-2,4-dione
SMILESC=Nc1[nH]c(=O)n(C)c(=O)c1N(C)C
InChIInChI=1S/C8H12N4O2/c1-9-6-5(11(2)3)7(13)12(4)8(14)10-6/h1H2,2-4H3,(H,10,14)
InChIKeyANCXPTUKOQCYOU-UHFFFAOYSA-N
XLogP-0.53
TPSA70.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-(dimethylamino)-3-methyl-6-(methylideneamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(dimethylamino)-3-methyl-6-(methylideneamino)-1H-pyrimidine-2,4-dione (CID 146974756) is 5-(dimethylamino)-3-methyl-6-(methylideneamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(dimethylamino)-3-methyl-6-(methylideneamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(dimethylamino)-3-methyl-6-(methylideneamino)-1H-pyrimidine-2,4-dione is C=Nc1[nH]c(=O)n(C)c(=O)c1N(C)C.
What is the InChIKey of 5-(dimethylamino)-3-methyl-6-(methylideneamino)-1H-pyrimidine-2,4-dione?
The InChIKey is ANCXPTUKOQCYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-9-6-5(11(2)3)7(13)12(4)8(14)10-6/h1H2,2-4H3,(H,10,14).
What are the key properties of 5-(dimethylamino)-3-methyl-6-(methylideneamino)-1H-pyrimidine-2,4-dione?
5-(dimethylamino)-3-methyl-6-(methylideneamino)-1H-pyrimidine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3-methyl-6-(methylideneamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146974756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).