3,4,4-triamino-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione

C14H17N7O3 — CID 123711482

IUPAC3,4,4-triamino-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2cccc(N)c2c(=O)n1C1(N)C(=O)NC(=O)CC1(N)N
InChIInChI=1S/C14H17N7O3/c1-6-19-8-4-2-3-7(15)10(8)11(23)21(6)14(18)12(24)20-9(22)5-13(14,16)17/h2-4H,5,15-18H2,1H3,(H,20,22,24)
InChIKeyAVVRBVJXUGZEAA-UHFFFAOYSA-N
MW331.34 g/mol
LogP-2.44
Rot. Bonds1

About 3,4,4-triamino-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione

3,4,4-triamino-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (PubChem CID 123711482) has the molecular formula C14H17N7O3 and a molecular weight of 331.34 g/mol. Its IUPAC name is 3,4,4-triamino-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3,4,4-triamino-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
PubChem CID123711482
Molecular FormulaC14H17N7O3
Molecular Weight331.34 g/mol
Exact Mass331.14
IUPAC Name3,4,4-triamino-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2cccc(N)c2c(=O)n1C1(N)C(=O)NC(=O)CC1(N)N
InChIInChI=1S/C14H17N7O3/c1-6-19-8-4-2-3-7(15)10(8)11(23)21(6)14(18)12(24)20-9(22)5-13(14,16)17/h2-4H,5,15-18H2,1H3,(H,20,22,24)
InChIKeyAVVRBVJXUGZEAA-UHFFFAOYSA-N
XLogP-2.44
TPSA185.14 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 5-2.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione
CID 24964387
3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione
CID 156677524
(3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4,4,5,5-tetradeuterio-3-(trideuteriomethyl)piperidine-2,6-dione
CID 156677475
(3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione
CID 158525132
7-amino-2,10,13-triaza-17-borapentacyclo[8.7.0.03,8.011,16.011,17]heptadeca-1,3,5,7-tetraene-9,12,14-trione
CID 144586058
5-amino-2-methyl-3H-quinazolin-4-one
CID 135573275
CID 174089779
CID 174089779
CID 174089758
CID 174089758
3-(5-amino-4-oxo-1,2,3-benzotriazin-3-yl)-3-methylpiperidine-2,6-dione
CID 142748642
(3R)-3-(5-amino-6,7,8-trideuterio-2-methyl-4-oxoquinazolin-3-yl)-4,4,5,5-tetradeuterio-3-methylpiperidine-2,6-dione
CID 156677514
2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one
CID 58252799
5-(aminomethyl)-2-methyl-3-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one;(3R)-3-[5-(aminomethyl)-2-methyl-4-oxoquinazolin-3-yl]-3-methylpiperidine-2,6-dione;5-ethyl-2-methyl-3-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one;(3R)-3-(5-ethyl-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione
CID 158452820

Frequently Asked Questions

What is the IUPAC name of 3,4,4-triamino-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3,4,4-triamino-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (CID 123711482) is 3,4,4-triamino-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3,4,4-triamino-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3,4,4-triamino-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is Cc1nc2cccc(N)c2c(=O)n1C1(N)C(=O)NC(=O)CC1(N)N.
What is the InChIKey of 3,4,4-triamino-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is AVVRBVJXUGZEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O3/c1-6-19-8-4-2-3-7(15)10(8)11(23)21(6)14(18)12(24)20-9(22)5-13(14,16)17/h2-4H,5,15-18H2,1H3,(H,20,22,24).
What are the key properties of 3,4,4-triamino-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
3,4,4-triamino-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 331.34 g/mol, XLogP of -2.44, 1 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-triamino-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 123711482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).