6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine

C13H25ClN6 — CID 62863273

IUPAC6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)CN(CCN(C)C)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C13H25ClN6/c1-10(2)9-20(8-7-18(3)4)13-16-11(14)15-12(17-13)19(5)6/h10H,7-9H2,1-6H3
InChIKeyILFKPQMNTSYLLS-UHFFFAOYSA-N
MW300.84 g/mol
LogP1.62
Rot. Bonds7

About 6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 62863273) has the molecular formula C13H25ClN6 and a molecular weight of 300.84 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID62863273
Molecular FormulaC13H25ClN6
Molecular Weight300.84 g/mol
Exact Mass300.18
IUPAC Name6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)CN(CCN(C)C)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C13H25ClN6/c1-10(2)9-20(8-7-18(3)4)13-16-11(14)15-12(17-13)19(5)6/h10H,7-9H2,1-6H3
InChIKeyILFKPQMNTSYLLS-UHFFFAOYSA-N
XLogP1.62
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.84
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 55125269
3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile
CID 62864840
6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 62864502
6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62864543
1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 62864855
4-chloro-6-ethoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,3,5-triazin-2-amine
CID 62858546
4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine
CID 62868889
6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80815795
2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 55125314
6-N-ethyl-2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80786638
6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62869363
3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile
CID 62864663

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine (CID 62863273) is 6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine is CC(C)CN(CCN(C)C)c1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ILFKPQMNTSYLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN6/c1-10(2)9-20(8-7-18(3)4)13-16-11(14)15-12(17-13)19(5)6/h10H,7-9H2,1-6H3.
What are the key properties of 6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 300.84 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62863273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).