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

C12H23ClN6 — CID 62864502

IUPAC6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCN(C)C)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C12H23ClN6/c1-6-7-19(9-8-17(2)3)12-15-10(13)14-11(16-12)18(4)5/h6-9H2,1-5H3
InChIKeyBDDOJPQYTUHJSE-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.37
Rot. Bonds7

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

6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 62864502) has the molecular formula C12H23ClN6 and a molecular weight of 286.81 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID62864502
Molecular FormulaC12H23ClN6
Molecular Weight286.81 g/mol
Exact Mass286.17
IUPAC Name6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCN(C)C)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C12H23ClN6/c1-6-7-19(9-8-17(2)3)12-15-10(13)14-11(16-12)18(4)5/h6-9H2,1-5H3
InChIKeyBDDOJPQYTUHJSE-UHFFFAOYSA-N
XLogP1.37
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80815795
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
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide
CID 62864642
2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80795919
6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 55125269
4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine
CID 178072208
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-propylamino]-N,N-dimethylacetamide
CID 62868725
6-chloro-2-N-ethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774645
4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 55124566
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80773692
4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 62870530

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-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-propyl-1,3,5-triazine-2,4-diamine (CID 62864502) is 6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-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-propyl-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-propyl-1,3,5-triazine-2,4-diamine is CCCN(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-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BDDOJPQYTUHJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN6/c1-6-7-19(9-8-17(2)3)12-15-10(13)14-11(16-12)18(4)5/h6-9H2,1-5H3.
What are the key properties of 6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 286.81 g/mol, XLogP of 1.37, 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-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62864502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).