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

C12H15ClN6 — CID 55125410

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(N(C)Cc2cccnc2)n1
InChIInChI=1S/C12H15ClN6/c1-18(2)11-15-10(13)16-12(17-11)19(3)8-9-5-4-6-14-7-9/h4-7H,8H2,1-3H3
InChIKeyIMPZPPVVTSKASS-UHFFFAOYSA-N
MW278.75 g/mol
LogP1.62
Rot. Bonds4

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

6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 55125410) has the molecular formula C12H15ClN6 and a molecular weight of 278.75 g/mol. Its IUPAC name is 6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID55125410
Molecular FormulaC12H15ClN6
Molecular Weight278.75 g/mol
Exact Mass278.10
IUPAC Name6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(N(C)Cc2cccnc2)n1
InChIInChI=1S/C12H15ClN6/c1-18(2)11-15-10(13)16-12(17-11)19(3)8-9-5-4-6-14-7-9/h4-7H,8H2,1-3H3
InChIKeyIMPZPPVVTSKASS-UHFFFAOYSA-N
XLogP1.62
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 55125410) is 6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Cl)nc(N(C)Cc2cccnc2)n1.
What is the InChIKey of 6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IMPZPPVVTSKASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6/c1-18(2)11-15-10(13)16-12(17-11)19(3)8-9-5-4-6-14-7-9/h4-7H,8H2,1-3H3.
What are the key properties of 6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 278.75 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 55125410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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