3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C20H25N7O2 — CID 2998810

IUPAC3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccccc1Nc1nc(N)nc(CN2C(=O)NC3(CCCCC3C)C2=O)n1
InChIInChI=1S/C20H25N7O2/c1-12-7-3-4-9-14(12)22-18-24-15(23-17(21)25-18)11-27-16(28)20(26-19(27)29)10-6-5-8-13(20)2/h3-4,7,9,13H,5-6,8,10-11H2,1-2H3,(H,26,29)(H3,21,22,23,24,25)
InChIKeyNUIUTSLPBYRSLL-UHFFFAOYSA-N
MW395.47 g/mol
LogP2.51
Rot. Bonds4

About 3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2998810) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2998810
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccccc1Nc1nc(N)nc(CN2C(=O)NC3(CCCCC3C)C2=O)n1
InChIInChI=1S/C20H25N7O2/c1-12-7-3-4-9-14(12)22-18-24-15(23-17(21)25-18)11-27-16(28)20(26-19(27)29)10-6-5-8-13(20)2/h3-4,7,9,13H,5-6,8,10-11H2,1-2H3,(H,26,29)(H3,21,22,23,24,25)
InChIKeyNUIUTSLPBYRSLL-UHFFFAOYSA-N
XLogP2.51
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 42609700
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-pyrimidin-2-ylphenyl)pyrrolidine-2-carboxamide
CID 44237041
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 2557692
3-((4-Amino-6-(p-tolylamino)-1,3,5-triazin-2-yl)methyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46232472
6-Amino-3-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione
CID 154747537
1-({4-Amino-6-[(2,3-dimethylphenyl)amino]-1,3,5-triazin-2-yl}methyl)piperidine-4-carboxamide
CID 662939
[4-[[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 2620769
N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide
CID 47077683
N,N-dimethyl-2-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
CID 47077684
2-[2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 47077686
N,N-dimethyl-2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
CID 47409578
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 56791033

Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2998810) is 3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ccccc1Nc1nc(N)nc(CN2C(=O)NC3(CCCCC3C)C2=O)n1.
What is the InChIKey of 3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is NUIUTSLPBYRSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-12-7-3-4-9-14(12)22-18-24-15(23-17(21)25-18)11-27-16(28)20(26-19(27)29)10-6-5-8-13(20)2/h3-4,7,9,13H,5-6,8,10-11H2,1-2H3,(H,26,29)(H3,21,22,23,24,25).
What are the key properties of 3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 395.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2998810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).