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

C13H15N5O2 — CID 822167

IUPAC1,3-dimethyl-6-(methylamino)-5-(pyridin-3-ylmethylideneamino)pyrimidine-2,4-dione
SMILESCNc1c(/N=C/c2cccnc2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H15N5O2/c1-14-11-10(12(19)18(3)13(20)17(11)2)16-8-9-5-4-6-15-7-9/h4-8,14H,1-3H3/b16-8+
InChIKeyHHOQKTMQJFNTQC-LZYBPNLTSA-N
MW273.30 g/mol
LogP0.27
Rot. Bonds3

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

1,3-dimethyl-6-(methylamino)-5-(pyridin-3-ylmethylideneamino)pyrimidine-2,4-dione (PubChem CID 822167) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1,3-dimethyl-6-(methylamino)-5-(pyridin-3-ylmethylideneamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(methylamino)-5-(pyridin-3-ylmethylideneamino)pyrimidine-2,4-dione
PubChem CID822167
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1,3-dimethyl-6-(methylamino)-5-(pyridin-3-ylmethylideneamino)pyrimidine-2,4-dione
SMILESCNc1c(/N=C/c2cccnc2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H15N5O2/c1-14-11-10(12(19)18(3)13(20)17(11)2)16-8-9-5-4-6-15-7-9/h4-8,14H,1-3H3/b16-8+
InChIKeyHHOQKTMQJFNTQC-LZYBPNLTSA-N
XLogP0.27
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-6-(methylamino)-5-(pyridin-3-ylmethylideneamino)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(methylamino)-5-(pyridin-3-ylmethylideneamino)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(methylamino)-5-(pyridin-3-ylmethylideneamino)pyrimidine-2,4-dione (CID 822167) is 1,3-dimethyl-6-(methylamino)-5-(pyridin-3-ylmethylideneamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(methylamino)-5-(pyridin-3-ylmethylideneamino)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(methylamino)-5-(pyridin-3-ylmethylideneamino)pyrimidine-2,4-dione is CNc1c(/N=C/c2cccnc2)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-(methylamino)-5-(pyridin-3-ylmethylideneamino)pyrimidine-2,4-dione?
The InChIKey is HHOQKTMQJFNTQC-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-14-11-10(12(19)18(3)13(20)17(11)2)16-8-9-5-4-6-15-7-9/h4-8,14H,1-3H3/b16-8+.
What are the key properties of 1,3-dimethyl-6-(methylamino)-5-(pyridin-3-ylmethylideneamino)pyrimidine-2,4-dione?
1,3-dimethyl-6-(methylamino)-5-(pyridin-3-ylmethylideneamino)pyrimidine-2,4-dione has a molecular weight of 273.30 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(methylamino)-5-(pyridin-3-ylmethylideneamino)pyrimidine-2,4-dione is sourced from PubChem (CID 822167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).