6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C10H12N6O — CID 80777487

IUPAC6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCc2ccccn2)n1
InChIInChI=1S/C10H12N6O/c1-17-10-15-8(11)14-9(16-10)13-6-7-4-2-3-5-12-7/h2-5H,6H2,1H3,(H3,11,13,14,15,16)
InChIKeyHBJPBJLUZLTGSM-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.47
Rot. Bonds4

About 6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine

6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80777487) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80777487
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCc2ccccn2)n1
InChIInChI=1S/C10H12N6O/c1-17-10-15-8(11)14-9(16-10)13-6-7-4-2-3-5-12-7/h2-5H,6H2,1H3,(H3,11,13,14,15,16)
InChIKeyHBJPBJLUZLTGSM-UHFFFAOYSA-N
XLogP0.47
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943283
6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773315
6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 106424499
4-hydrazinyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943161
4-chloro-6-methoxy-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 62858127
6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 114957865
6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80776963
5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 171984806
2-N-(pyridin-2-ylmethyl)pyrimidine-2,5-diamine
CID 61146429
4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80777882
4-N-[(4-methoxyphenyl)methyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892381
6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80829595

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80777487) is 6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NCc2ccccn2)n1.
What is the InChIKey of 6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HBJPBJLUZLTGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-17-10-15-8(11)14-9(16-10)13-6-7-4-2-3-5-12-7/h2-5H,6H2,1H3,(H3,11,13,14,15,16).
What are the key properties of 6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 232.25 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80777487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).