3,4,5-triamino-3-(5,7-diamino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione

C14H18N8O3 — CID 123189620

IUPAC3,4,5-triamino-3-(5,7-diamino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2cc(N)cc(N)c2c(=O)n1C1(N)C(=O)NC(=O)C(N)C1N
InChIInChI=1S/C14H18N8O3/c1-4-20-7-3-5(15)2-6(16)8(7)12(24)22(4)14(19)10(18)9(17)11(23)21-13(14)25/h2-3,9-10H,15-19H2,1H3,(H,21,23,25)
InChIKeyRSFDGTKABCJRHY-UHFFFAOYSA-N
MW346.35 g/mol
LogP-3.21
Rot. Bonds1

About 3,4,5-triamino-3-(5,7-diamino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione

3,4,5-triamino-3-(5,7-diamino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (PubChem CID 123189620) has the molecular formula C14H18N8O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 3,4,5-triamino-3-(5,7-diamino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3,4,5-triamino-3-(5,7-diamino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
PubChem CID123189620
Molecular FormulaC14H18N8O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name3,4,5-triamino-3-(5,7-diamino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2cc(N)cc(N)c2c(=O)n1C1(N)C(=O)NC(=O)C(N)C1N
InChIInChI=1S/C14H18N8O3/c1-4-20-7-3-5(15)2-6(16)8(7)12(24)22(4)14(19)10(18)9(17)11(23)21-13(14)25/h2-3,9-10H,15-19H2,1H3,(H,21,23,25)
InChIKeyRSFDGTKABCJRHY-UHFFFAOYSA-N
XLogP-3.21
TPSA211.16 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 5-3.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3,4-diamino-3-(5,7,8-triamino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 123273426
CID 174089779
CID 174089779
(3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione
CID 24964387
(3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146338076
(3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione
CID 147342088
5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile
CID 146338206
(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
CID 144586053
CID 144586053
(4S)-4-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione
CID 157287369
3,4,5-trihydroxy-3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 144586036
3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione
CID 156677524
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

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triamino-3-(5,7-diamino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3,4,5-triamino-3-(5,7-diamino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (CID 123189620) is 3,4,5-triamino-3-(5,7-diamino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3,4,5-triamino-3-(5,7-diamino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3,4,5-triamino-3-(5,7-diamino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is Cc1nc2cc(N)cc(N)c2c(=O)n1C1(N)C(=O)NC(=O)C(N)C1N.
What is the InChIKey of 3,4,5-triamino-3-(5,7-diamino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is RSFDGTKABCJRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O3/c1-4-20-7-3-5(15)2-6(16)8(7)12(24)22(4)14(19)10(18)9(17)11(23)21-13(14)25/h2-3,9-10H,15-19H2,1H3,(H,21,23,25).
What are the key properties of 3,4,5-triamino-3-(5,7-diamino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
3,4,5-triamino-3-(5,7-diamino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 346.35 g/mol, XLogP of -3.21, 1 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triamino-3-(5,7-diamino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 123189620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).