2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine

C23H44ClN5O4 — CID 139712262

IUPAC2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine
SMILESCCCCOCN(COCCCC)c1nc(Cl)nc(N(COCCCC)COCCCC)n1
InChIInChI=1S/C23H44ClN5O4/c1-5-9-13-30-17-28(18-31-14-10-6-2)22-25-21(24)26-23(27-22)29(19-32-15-11-7-3)20-33-16-12-8-4/h5-20H2,1-4H3
InChIKeyBUOWDKRTWUOHRA-UHFFFAOYSA-N
MW490.09 g/mol
LogP5.23
Rot. Bonds22

About 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine (PubChem CID 139712262) has the molecular formula C23H44ClN5O4 and a molecular weight of 490.09 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine
PubChem CID139712262
Molecular FormulaC23H44ClN5O4
Molecular Weight490.09 g/mol
Exact Mass489.31
IUPAC Name2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine
SMILESCCCCOCN(COCCCC)c1nc(Cl)nc(N(COCCCC)COCCCC)n1
InChIInChI=1S/C23H44ClN5O4/c1-5-9-13-30-17-28(18-31-14-10-6-2)22-25-21(24)26-23(27-22)29(19-32-15-11-7-3)20-33-16-12-8-4/h5-20H2,1-4H3
InChIKeyBUOWDKRTWUOHRA-UHFFFAOYSA-N
XLogP5.23
TPSA82.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.09
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 20676471
1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol
CID 67518532
4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine
CID 178072208
6-[2-[3-[2-[4,6-bis[bis(butoxymethyl)amino]-1,3,5-triazin-2-yl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4-diamine
CID 90347831
4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine
CID 169438788
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 58341514
4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 62870530
6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 63692736
6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 62863384
1-[[4-[bis(butoxymethyl)amino]-6-cyclohexyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol
CID 70842070
6-chloro-2-N,4-N-dimethyl-2-N,4-N-dioctadecyl-1,3,5-triazine-2,4-diamine
CID 3681496

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine (CID 139712262) is 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine is CCCCOCN(COCCCC)c1nc(Cl)nc(N(COCCCC)COCCCC)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine?
The InChIKey is BUOWDKRTWUOHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44ClN5O4/c1-5-9-13-30-17-28(18-31-14-10-6-2)22-25-21(24)26-23(27-22)29(19-32-15-11-7-3)20-33-16-12-8-4/h5-20H2,1-4H3.
What are the key properties of 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine has a molecular weight of 490.09 g/mol, XLogP of 5.23, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139712262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).