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

C11H14N6 — CID 166178436

IUPAC2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(N(C)Cc2ccncc2)n1
InChIInChI=1S/C11H14N6/c1-8-14-10(12)16-11(15-8)17(2)7-9-3-5-13-6-4-9/h3-6H,7H2,1-2H3,(H2,12,14,15,16)
InChIKeyNCNNXCURYVKEPY-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.79
Rot. Bonds3

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

2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 166178436) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID166178436
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(N(C)Cc2ccncc2)n1
InChIInChI=1S/C11H14N6/c1-8-14-10(12)16-11(15-8)17(2)7-9-3-5-13-6-4-9/h3-6H,7H2,1-2H3,(H2,12,14,15,16)
InChIKeyNCNNXCURYVKEPY-UHFFFAOYSA-N
XLogP0.79
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N,4-N-trimethyl-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80764929
2-N-ethyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 59816813
4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 171691462
6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80793890
6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80907338
6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 62864913
6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80808976
2-N-[(4-bromophenyl)methyl]-6-chloro-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80794390
2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80994071
5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 107080360
[2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol
CID 113387821
2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80773890

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 166178436) is 2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine is Cc1nc(N)nc(N(C)Cc2ccncc2)n1.
What is the InChIKey of 2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NCNNXCURYVKEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-8-14-10(12)16-11(15-8)17(2)7-9-3-5-13-6-4-9/h3-6H,7H2,1-2H3,(H2,12,14,15,16).
What are the key properties of 2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 230.28 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 166178436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).