[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C24H31N7O5 — CID 24524055

IUPAC[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCOc1ccccc1Nc1nc(N)nc(COC(=O)CN2C(=O)NC3(CC(C)CC(C)(C)C3)C2=O)n1
InChIInChI=1S/C24H31N7O5/c1-14-9-23(2,3)13-24(10-14)19(33)31(22(34)30-24)11-18(32)36-12-17-27-20(25)29-21(28-17)26-15-7-5-6-8-16(15)35-4/h5-8,14H,9-13H2,1-4H3,(H,30,34)(H3,25,26,27,28,29)
InChIKeyULDXALUAJHVPKI-UHFFFAOYSA-N
MW497.56 g/mol
LogP2.39
Rot. Bonds7

About [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 24524055) has the molecular formula C24H31N7O5 and a molecular weight of 497.56 g/mol. Its IUPAC name is [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID24524055
Molecular FormulaC24H31N7O5
Molecular Weight497.56 g/mol
Exact Mass497.24
IUPAC Name[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCOc1ccccc1Nc1nc(N)nc(COC(=O)CN2C(=O)NC3(CC(C)CC(C)(C)C3)C2=O)n1
InChIInChI=1S/C24H31N7O5/c1-14-9-23(2,3)13-24(10-14)19(33)31(22(34)30-24)11-18(32)36-12-17-27-20(25)29-21(28-17)26-15-7-5-6-8-16(15)35-4/h5-8,14H,9-13H2,1-4H3,(H,30,34)(H3,25,26,27,28,29)
InChIKeyULDXALUAJHVPKI-UHFFFAOYSA-N
XLogP2.39
TPSA161.66 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate 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

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55384487
(5-acetyl-2-methoxyphenyl)methyl 2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 92509727
(3-chlorophenyl)methyl 2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7652027
(2-chloroquinolin-3-yl)methyl 2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 39811693
(2-anilino-2-oxoethyl) 2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7652117
N-[2-(2-methoxyphenyl)ethyl]-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 31114934
N-(2-methoxy-5-methylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579596
(2-acetamido-1,3-thiazol-4-yl)methyl 2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 92784237
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 41178438
(2-chloro-6-fluorophenyl)methyl 2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7652037
2-(4-fluorophenoxy)ethyl 2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651688
methyl 3-phenyl-2-[[2-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxyacetyl]amino]propanoate
CID 46607997

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 24524055) is [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is COc1ccccc1Nc1nc(N)nc(COC(=O)CN2C(=O)NC3(CC(C)CC(C)(C)C3)C2=O)n1.
What is the InChIKey of [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is ULDXALUAJHVPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O5/c1-14-9-23(2,3)13-24(10-14)19(33)31(22(34)30-24)11-18(32)36-12-17-27-20(25)29-21(28-17)26-15-7-5-6-8-16(15)35-4/h5-8,14H,9-13H2,1-4H3,(H,30,34)(H3,25,26,27,28,29).
What are the key properties of [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 497.56 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 24524055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).