methyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate

C13H16N6O2 — CID 174290038

IUPACmethyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate
SMILESCNc1nc(C)nc(Nc2ccncc2C(=O)OC)c1N
InChIInChI=1S/C13H16N6O2/c1-7-17-11(15-2)10(14)12(18-7)19-9-4-5-16-6-8(9)13(20)21-3/h4-6H,14H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyAMYZLODKFBULEJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.33
Rot. Bonds4

About methyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate

methyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate (PubChem CID 174290038) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is methyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate
PubChem CID174290038
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Namemethyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate
SMILESCNc1nc(C)nc(Nc2ccncc2C(=O)OC)c1N
InChIInChI=1S/C13H16N6O2/c1-7-17-11(15-2)10(14)12(18-7)19-9-4-5-16-6-8(9)13(20)21-3/h4-6H,14H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyAMYZLODKFBULEJ-UHFFFAOYSA-N
XLogP1.33
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate 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 methyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate (CID 174290038) is methyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate is CNc1nc(C)nc(Nc2ccncc2C(=O)OC)c1N.
What is the InChIKey of methyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate?
The InChIKey is AMYZLODKFBULEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-7-17-11(15-2)10(14)12(18-7)19-9-4-5-16-6-8(9)13(20)21-3/h4-6H,14H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of methyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate?
methyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate has a molecular weight of 288.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-amino-2-methyl-6-(methylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 174290038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).