6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine

C13H24ClN5O2 — CID 62863384

IUPAC6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(N(CCOC)CCOC)n1
InChIInChI=1S/C13H24ClN5O2/c1-5-18(6-2)12-15-11(14)16-13(17-12)19(7-9-20-3)8-10-21-4/h5-10H2,1-4H3
InChIKeyUBCSXYPDBFYUMF-UHFFFAOYSA-N
MW317.82 g/mol
LogP1.47
Rot. Bonds10

About 6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 62863384) has the molecular formula C13H24ClN5O2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
PubChem CID62863384
Molecular FormulaC13H24ClN5O2
Molecular Weight317.82 g/mol
Exact Mass317.16
IUPAC Name6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(N(CCOC)CCOC)n1
InChIInChI=1S/C13H24ClN5O2/c1-5-18(6-2)12-15-11(14)16-13(17-12)19(7-9-20-3)8-10-21-4/h5-10H2,1-4H3
InChIKeyUBCSXYPDBFYUMF-UHFFFAOYSA-N
XLogP1.47
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4,6-dichloro-N,N-bis(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 55023614
6-chloro-2-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80809255
6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 63692736
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104561349
4-chloro-6-ethoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,3,5-triazin-2-amine
CID 62858546
4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine
CID 82961053
6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62864543
4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 62870530
2-N-ethyl-6-hydrazinyl-2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80896663
4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 62868921
2-N,2-N-bis(2-methoxyethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80795772

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine (CID 62863384) is 6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(N(CCOC)CCOC)n1.
What is the InChIKey of 6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UBCSXYPDBFYUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5O2/c1-5-18(6-2)12-15-11(14)16-13(17-12)19(7-9-20-3)8-10-21-4/h5-10H2,1-4H3.
What are the key properties of 6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 317.82 g/mol, XLogP of 1.47, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62863384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).