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

C12H15ClN6 — CID 62864756

IUPAC6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NCCc2cccnc2)n1
InChIInChI=1S/C12H15ClN6/c1-19(2)12-17-10(13)16-11(18-12)15-7-5-9-4-3-6-14-8-9/h3-4,6,8H,5,7H2,1-2H3,(H,15,16,17,18)
InChIKeyLKLXNSGOHOAAEY-UHFFFAOYSA-N
MW278.75 g/mol
LogP1.64
Rot. Bonds5

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

6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 62864756) has the molecular formula C12H15ClN6 and a molecular weight of 278.75 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID62864756
Molecular FormulaC12H15ClN6
Molecular Weight278.75 g/mol
Exact Mass278.10
IUPAC Name6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NCCc2cccnc2)n1
InChIInChI=1S/C12H15ClN6/c1-19(2)12-17-10(13)16-11(18-12)15-7-5-9-4-3-6-14-8-9/h3-4,6,8H,5,7H2,1-2H3,(H,15,16,17,18)
InChIKeyLKLXNSGOHOAAEY-UHFFFAOYSA-N
XLogP1.64
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4,6-dichloro-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508229
4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 62857968
6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 55125410
6-chloro-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62863825
6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 62870223
4-chloro-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508232
2,6-dichloro-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 59258790
6-chloro-2-N,2-N-dimethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 55125138
5,6-dimethyl-N-(2-pyridin-3-ylethyl)-1,2,4-triazin-3-amine
CID 114448192
6-chloro-2-N,2-N-dimethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106038174
6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine
CID 62988752
6-chloro-2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 114156731

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine (CID 62864756) is 6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Cl)nc(NCCc2cccnc2)n1.
What is the InChIKey of 6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LKLXNSGOHOAAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6/c1-19(2)12-17-10(13)16-11(18-12)15-7-5-9-4-3-6-14-8-9/h3-4,6,8H,5,7H2,1-2H3,(H,15,16,17,18).
What are the key properties of 6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 278.75 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-dimethyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62864756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).