N-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine

C29H30N6O4 — CID 90829808

IUPACN-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine
SMILESCOc1cccc(CCOc2nc(Nc3ccc4[nH]c5ccccc5c4c3)nc(N3CCOCC3)n2)c1OC
InChIInChI=1S/C29H30N6O4/c1-36-25-9-5-6-19(26(25)37-2)12-15-39-29-33-27(32-28(34-29)35-13-16-38-17-14-35)30-20-10-11-24-22(18-20)21-7-3-4-8-23(21)31-24/h3-11,18,31H,12-17H2,1-2H3,(H,30,32,33,34)
InChIKeyWINLEZUBMTVLLB-UHFFFAOYSA-N
MW526.60 g/mol
LogP4.72
Rot. Bonds9

About N-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine

N-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine (PubChem CID 90829808) has the molecular formula C29H30N6O4 and a molecular weight of 526.60 g/mol. Its IUPAC name is N-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine.

Molecular Properties

Compound NameN-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine
PubChem CID90829808
Molecular FormulaC29H30N6O4
Molecular Weight526.60 g/mol
Exact Mass526.23
IUPAC NameN-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine
SMILESCOc1cccc(CCOc2nc(Nc3ccc4[nH]c5ccccc5c4c3)nc(N3CCOCC3)n2)c1OC
InChIInChI=1S/C29H30N6O4/c1-36-25-9-5-6-19(26(25)37-2)12-15-39-29-33-27(32-28(34-29)35-13-16-38-17-14-35)30-20-10-11-24-22(18-20)21-7-3-4-8-23(21)31-24/h3-11,18,31H,12-17H2,1-2H3,(H,30,32,33,34)
InChIKeyWINLEZUBMTVLLB-UHFFFAOYSA-N
XLogP4.72
TPSA106.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.60
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 1077239
2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 45136690
4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine
CID 91424946
4-N-(3,4-dimethylphenyl)-2-N-(2-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580291
2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580362
2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine
CID 59218180
4-N-(4-ethylphenyl)-2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580284
2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580158
2-N-(2-ethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477739
2-N-(3-chloro-4-methylphenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580190
N-[(E)-1H-indol-3-ylmethylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine dichloride
CID 135505691
2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580341

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine?
The IUPAC name of N-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine (CID 90829808) is N-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine.
What is the SMILES notation for N-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine?
The canonical SMILES for N-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine is COc1cccc(CCOc2nc(Nc3ccc4[nH]c5ccccc5c4c3)nc(N3CCOCC3)n2)c1OC.
What is the InChIKey of N-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine?
The InChIKey is WINLEZUBMTVLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O4/c1-36-25-9-5-6-19(26(25)37-2)12-15-39-29-33-27(32-28(34-29)35-13-16-38-17-14-35)30-20-10-11-24-22(18-20)21-7-3-4-8-23(21)31-24/h3-11,18,31H,12-17H2,1-2H3,(H,30,32,33,34).
What are the key properties of N-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine?
N-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine has a molecular weight of 526.60 g/mol, XLogP of 4.72, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine is sourced from PubChem (CID 90829808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).