4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

C13H19N7O — CID 80808945

IUPAC4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCc2ccnc(OC)c2)nc(N(C)C)n1
InChIInChI=1S/C13H19N7O/c1-14-11-17-12(19-13(18-11)20(2)3)16-8-9-5-6-15-10(7-9)21-4/h5-7H,8H2,1-4H3,(H2,14,16,17,18,19)
InChIKeyBIHQJFJYYHXBAH-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.00
Rot. Bonds6

About 4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80808945) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80808945
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCc2ccnc(OC)c2)nc(N(C)C)n1
InChIInChI=1S/C13H19N7O/c1-14-11-17-12(19-13(18-11)20(2)3)16-8-9-5-6-15-10(7-9)21-4/h5-7H,8H2,1-4H3,(H2,14,16,17,18,19)
InChIKeyBIHQJFJYYHXBAH-UHFFFAOYSA-N
XLogP1.00
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80831217
3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]benzonitrile
CID 80797510
N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine
CID 115708940
methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate
CID 60724684
3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
CID 102751039
6-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
CID 80914693
4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80809447
N-[(2-methoxy-4-pyridinyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62990758
N-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 120969454
1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one
CID 62996104
6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80831001

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 80808945) is 4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(NCc2ccnc(OC)c2)nc(N(C)C)n1.
What is the InChIKey of 4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BIHQJFJYYHXBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-14-11-17-12(19-13(18-11)20(2)3)16-8-9-5-6-15-10(7-9)21-4/h5-7H,8H2,1-4H3,(H2,14,16,17,18,19).
What are the key properties of 4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 289.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80808945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).