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

C9H10N6 — CID 112681587

IUPAC6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Cc2cccnc2)n1
InChIInChI=1S/C9H10N6/c10-8-13-7(14-9(11)15-8)4-6-2-1-3-12-5-6/h1-3,5H,4H2,(H4,10,11,13,14,15)
InChIKeyXEHGTLMPOLKMDY-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.02
Rot. Bonds2

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

6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 112681587) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID112681587
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Cc2cccnc2)n1
InChIInChI=1S/C9H10N6/c10-8-13-7(14-9(11)15-8)4-6-2-1-3-12-5-6/h1-3,5H,4H2,(H4,10,11,13,14,15)
InChIKeyXEHGTLMPOLKMDY-UHFFFAOYSA-N
XLogP0.02
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 63868638
4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 104737196
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine
CID 80550393
5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 104737174
4-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 13276723
6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 71468116
5-(pyridin-3-ylmethyl)thiophen-2-amine
CID 131279369
[6-ethyl-5-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 63559686
2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62551044
N-[[4,6-dimethyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62744955
4,5-difluoro-2-(pyridin-3-ylmethyl)aniline
CID 90291449

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 112681587) is 6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(Cc2cccnc2)n1.
What is the InChIKey of 6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XEHGTLMPOLKMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c10-8-13-7(14-9(11)15-8)4-6-2-1-3-12-5-6/h1-3,5H,4H2,(H4,10,11,13,14,15).
What are the key properties of 6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 202.22 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112681587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).