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

C9H9ClN6 — CID 80773543

IUPAC6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NCc2cccnc2)n1
InChIInChI=1S/C9H9ClN6/c10-7-14-8(11)16-9(15-7)13-5-6-2-1-3-12-4-6/h1-4H,5H2,(H3,11,13,14,15,16)
InChIKeyHANWUVDXHSDWCQ-UHFFFAOYSA-N
MW236.67 g/mol
LogP1.11
Rot. Bonds3

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

6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80773543) has the molecular formula C9H9ClN6 and a molecular weight of 236.67 g/mol. Its IUPAC name is 6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80773543
Molecular FormulaC9H9ClN6
Molecular Weight236.67 g/mol
Exact Mass236.06
IUPAC Name6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NCc2cccnc2)n1
InChIInChI=1S/C9H9ClN6/c10-7-14-8(11)16-9(15-7)13-5-6-2-1-3-12-4-6/h1-4H,5H2,(H3,11,13,14,15,16)
InChIKeyHANWUVDXHSDWCQ-UHFFFAOYSA-N
XLogP1.11
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.67
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773536
4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine
CID 783137
6-imidazol-1-yl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773392
4,6-dichloro-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508229
2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 114043542
6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773060
4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 82676696
6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80831002
4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 80773541
6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781008
2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80773543) is 6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(Cl)nc(NCc2cccnc2)n1.
What is the InChIKey of 6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HANWUVDXHSDWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN6/c10-7-14-8(11)16-9(15-7)13-5-6-2-1-3-12-4-6/h1-4H,5H2,(H3,11,13,14,15,16).
What are the key properties of 6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 236.67 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80773543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).