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

C11H14N6O — CID 114957865

IUPAC6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCc2cnccc2C)n1
InChIInChI=1S/C11H14N6O/c1-7-3-4-13-5-8(7)6-14-10-15-9(12)16-11(17-10)18-2/h3-5H,6H2,1-2H3,(H3,12,14,15,16,17)
InChIKeyQNJZSMYXJJDZFW-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.78
Rot. Bonds4

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

6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 114957865) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID114957865
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCc2cnccc2C)n1
InChIInChI=1S/C11H14N6O/c1-7-3-4-13-5-8(7)6-14-10-15-9(12)16-11(17-10)18-2/h3-5H,6H2,1-2H3,(H3,12,14,15,16,17)
InChIKeyQNJZSMYXJJDZFW-UHFFFAOYSA-N
XLogP0.78
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-N-[(3-methyl-4-pyridinyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114702251
4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956711
5-chloro-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 114956672
6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80777487
6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 106424499
5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956528
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80807450
2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine
CID 114954576
6-hydrazinyl-4-N,4-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 114958025
4-N-[(4-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114957965
4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330752

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine (CID 114957865) is 6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NCc2cnccc2C)n1.
What is the InChIKey of 6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is QNJZSMYXJJDZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7-3-4-13-5-8(7)6-14-10-15-9(12)16-11(17-10)18-2/h3-5H,6H2,1-2H3,(H3,12,14,15,16,17).
What are the key properties of 6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 246.27 g/mol, XLogP of 0.78, 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-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114957865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).