6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine

C22H24N10O2 — CID 139995577

IUPAC6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCOc2ccccc2-c2ccccc2OCCc2nc(N)nc(N)n2)n1
InChIInChI=1S/C22H24N10O2/c23-19-27-17(28-20(24)31-19)9-11-33-15-7-3-1-5-13(15)14-6-2-4-8-16(14)34-12-10-18-29-21(25)32-22(26)30-18/h1-8H,9-12H2,(H4,23,24,27,28,31)(H4,25,26,29,30,32)
InChIKeyCBIHSIQOTKUQLJ-UHFFFAOYSA-N
MW460.50 g/mol
LogP1.30
Rot. Bonds9

About 6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine

6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 139995577) has the molecular formula C22H24N10O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is 6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID139995577
Molecular FormulaC22H24N10O2
Molecular Weight460.50 g/mol
Exact Mass460.21
IUPAC Name6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCOc2ccccc2-c2ccccc2OCCc2nc(N)nc(N)n2)n1
InChIInChI=1S/C22H24N10O2/c23-19-27-17(28-20(24)31-19)9-11-33-15-7-3-1-5-13(15)14-6-2-4-8-16(14)34-12-10-18-29-21(25)32-22(26)30-18/h1-8H,9-12H2,(H4,23,24,27,28,31)(H4,25,26,29,30,32)
InChIKeyCBIHSIQOTKUQLJ-UHFFFAOYSA-N
XLogP1.30
TPSA199.88 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.50
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol
CID 139995584
2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline
CID 82478565
4-(2-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 63867600
2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline
CID 82474120
11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 139835438
4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 104663115
4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine
CID 82169669
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]ethanol
CID 28857958
4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine
CID 28857982
2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid
CID 54850304
2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide
CID 54851651

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine (CID 139995577) is 6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CCOc2ccccc2-c2ccccc2OCCc2nc(N)nc(N)n2)n1.
What is the InChIKey of 6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is CBIHSIQOTKUQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N10O2/c23-19-27-17(28-20(24)31-19)9-11-33-15-7-3-1-5-13(15)14-6-2-4-8-16(14)34-12-10-18-29-21(25)32-22(26)30-18/h1-8H,9-12H2,(H4,23,24,27,28,31)(H4,25,26,29,30,32).
What are the key properties of 6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine?
6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 460.50 g/mol, XLogP of 1.30, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139995577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).