4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione

C14H15N5O2 — CID 66074348

IUPAC4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1ncnc2ccc(N)cc12
InChIInChI=1S/C14H15N5O2/c1-14(2)13(21)18-11(20)6-19(14)12-9-5-8(15)3-4-10(9)16-7-17-12/h3-5,7H,6,15H2,1-2H3,(H,18,20,21)
InChIKeyUNYGKINSHLILSS-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.45
Rot. Bonds1

About 4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione

4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66074348) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID66074348
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1ncnc2ccc(N)cc12
InChIInChI=1S/C14H15N5O2/c1-14(2)13(21)18-11(20)6-19(14)12-9-5-8(15)3-4-10(9)16-7-17-12/h3-5,7H,6,15H2,1-2H3,(H,18,20,21)
InChIKeyUNYGKINSHLILSS-UHFFFAOYSA-N
XLogP0.45
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione (CID 66074348) is 4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1c1ncnc2ccc(N)cc12.
What is the InChIKey of 4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is UNYGKINSHLILSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-14(2)13(21)18-11(20)6-19(14)12-9-5-8(15)3-4-10(9)16-7-17-12/h3-5,7H,6,15H2,1-2H3,(H,18,20,21).
What are the key properties of 4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 285.31 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminoquinazolin-4-yl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66074348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).