6-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine

C29H50N10O4 — CID 54377801

IUPAC6-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOCCNc1nc(NCCOCC)nc(C2CC3CC(c4nc(NCCOCC)nc(NCCOCC)n4)C2C3)n1
InChIInChI=1S/C29H50N10O4/c1-5-40-13-9-30-26-34-24(35-27(38-26)31-10-14-41-6-2)22-18-20-17-21(22)23(19-20)25-36-28(32-11-15-42-7-3)39-29(37-25)33-12-16-43-8-4/h20-23H,5-19H2,1-4H3,(H2,30,31,34,35,38)(H2,32,33,36,37,39)
InChIKeyUXTWXLBPIOJLAM-UHFFFAOYSA-N
MW602.79 g/mol
LogP3.15
Rot. Bonds22

About 6-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine

6-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 54377801) has the molecular formula C29H50N10O4 and a molecular weight of 602.79 g/mol. Its IUPAC name is 6-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine
PubChem CID54377801
Molecular FormulaC29H50N10O4
Molecular Weight602.79 g/mol
Exact Mass602.40
IUPAC Name6-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOCCNc1nc(NCCOCC)nc(C2CC3CC(c4nc(NCCOCC)nc(NCCOCC)n4)C2C3)n1
InChIInChI=1S/C29H50N10O4/c1-5-40-13-9-30-26-34-24(35-27(38-26)31-10-14-41-6-2)22-18-20-17-21(22)23(19-20)25-36-28(32-11-15-42-7-3)39-29(37-25)33-12-16-43-8-4/h20-23H,5-19H2,1-4H3,(H2,30,31,34,35,38)(H2,32,33,36,37,39)
InChIKeyUXTWXLBPIOJLAM-UHFFFAOYSA-N
XLogP3.15
TPSA162.38 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.79
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-2-N-(2-ethoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80792148
4-N-(2-ethoxyethyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80793588
2-N-(2-ethoxyethyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775050
N-(2-ethoxyethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80906653
6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865096
4-N-(2-ethoxyethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80792749
2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827068
6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772319
N-(2-ethoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304729
2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80846117
4-N-(2-ethoxyethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80793590
4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325198

Frequently Asked Questions

What is the IUPAC name of 6-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine (CID 54377801) is 6-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine is CCOCCNc1nc(NCCOCC)nc(C2CC3CC(c4nc(NCCOCC)nc(NCCOCC)n4)C2C3)n1.
What is the InChIKey of 6-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UXTWXLBPIOJLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50N10O4/c1-5-40-13-9-30-26-34-24(35-27(38-26)31-10-14-41-6-2)22-18-20-17-21(22)23(19-20)25-36-28(32-11-15-42-7-3)39-29(37-25)33-12-16-43-8-4/h20-23H,5-19H2,1-4H3,(H2,30,31,34,35,38)(H2,32,33,36,37,39).
What are the key properties of 6-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine?
6-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 602.79 g/mol, XLogP of 3.15, 22 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 54377801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).