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

C15H23N7O2 — CID 27068137

IUPAC(5R,6R)-3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(Cc1nc(N)nc(N(C)C)n1)C2=O
InChIInChI=1S/C15H23N7O2/c1-9-6-4-5-7-15(9)11(23)22(14(24)20-15)8-10-17-12(16)19-13(18-10)21(2)3/h9H,4-8H2,1-3H3,(H,20,24)(H2,16,17,18,19)/t9-,15-/m1/s1
InChIKeyRGKUUOGXIVQFNH-RFAUZJTJSA-N
MW333.40 g/mol
LogP0.52
Rot. Bonds3

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

(5R,6R)-3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 27068137) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is (5R,6R)-3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5R,6R)-3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID27068137
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Name(5R,6R)-3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(Cc1nc(N)nc(N(C)C)n1)C2=O
InChIInChI=1S/C15H23N7O2/c1-9-6-4-5-7-15(9)11(23)22(14(24)20-15)8-10-17-12(16)19-13(18-10)21(2)3/h9H,4-8H2,1-3H3,(H,20,24)(H2,16,17,18,19)/t9-,15-/m1/s1
InChIKeyRGKUUOGXIVQFNH-RFAUZJTJSA-N
XLogP0.52
TPSA117.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5R,6R)-3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

(5S,6S)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9451386
3-[[cyclohexyl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17441994
N,N-dimethyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9208151
6-methyl-3-propyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17429707
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
3-[(2,2-dichlorocyclopropyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18171164
(5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8943443
3-[[[4-(dimethylamino)phenyl]methyl-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17447752
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetonitrile
CID 51459819
(5R,6R)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94139700
3-[(3-chlorophenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3330388
6-methyl-3-(2-propan-2-yloxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24674265

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5R,6R)-3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 27068137) is (5R,6R)-3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5R,6R)-3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5R,6R)-3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1nc(N)nc(N(C)C)n1)C2=O.
What is the InChIKey of (5R,6R)-3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is RGKUUOGXIVQFNH-RFAUZJTJSA-N. The full InChI is InChI=1S/C15H23N7O2/c1-9-6-4-5-7-15(9)11(23)22(14(24)20-15)8-10-17-12(16)19-13(18-10)21(2)3/h9H,4-8H2,1-3H3,(H,20,24)(H2,16,17,18,19)/t9-,15-/m1/s1.
What are the key properties of (5R,6R)-3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,6R)-3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 333.40 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 27068137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).