N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine

C24H30N6O2 — CID 17337058

IUPACN-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine
SMILESCOc1ccc(CCN2CN=C(Nc3nc(C)c4cc(C)c(C)cc4n3)NC2)cc1OC
InChIInChI=1S/C24H30N6O2/c1-15-10-19-17(3)27-24(28-20(19)11-16(15)2)29-23-25-13-30(14-26-23)9-8-18-6-7-21(31-4)22(12-18)32-5/h6-7,10-12H,8-9,13-14H2,1-5H3,(H2,25,26,27,28,29)
InChIKeyYVLYMACKBAUGSH-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.40
Rot. Bonds6

About N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine

N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine (PubChem CID 17337058) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine.

Molecular Properties

Compound NameN-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine
PubChem CID17337058
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine
SMILESCOc1ccc(CCN2CN=C(Nc3nc(C)c4cc(C)c(C)cc4n3)NC2)cc1OC
InChIInChI=1S/C24H30N6O2/c1-15-10-19-17(3)27-24(28-20(19)11-16(15)2)29-23-25-13-30(14-26-23)9-8-18-6-7-21(31-4)22(12-18)32-5/h6-7,10-12H,8-9,13-14H2,1-5H3,(H2,25,26,27,28,29)
InChIKeyYVLYMACKBAUGSH-UHFFFAOYSA-N
XLogP3.40
TPSA83.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine with MolForge

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Related Compounds

4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine
CID 17228617
3-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 2806555
6-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazine
CID 944065
[1-[2-(3,4-dimethoxyphenyl)ethyl]azetidin-3-yl] methanesulfonate
CID 54171177
methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
CID 135609741
2,6-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731133
4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950155
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 43315161
1-[2-(3,4-dimethoxyphenyl)ethyl]-N,4-dimethylimidazol-2-amine
CID 106555784
3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879786
1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-one
CID 117012812
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 117026469

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine?
The IUPAC name of N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine (CID 17337058) is N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine.
What is the SMILES notation for N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine?
The canonical SMILES for N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine is COc1ccc(CCN2CN=C(Nc3nc(C)c4cc(C)c(C)cc4n3)NC2)cc1OC.
What is the InChIKey of N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine?
The InChIKey is YVLYMACKBAUGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-15-10-19-17(3)27-24(28-20(19)11-16(15)2)29-23-25-13-30(14-26-23)9-8-18-6-7-21(31-4)22(12-18)32-5/h6-7,10-12H,8-9,13-14H2,1-5H3,(H2,25,26,27,28,29).
What are the key properties of N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine?
N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine has a molecular weight of 434.54 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4,6,7-trimethylquinazolin-2-amine is sourced from PubChem (CID 17337058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).