4-amino-5,5-dimethyl-6,8-dihydro-1H-quinazoline-2,7-dione

C10H13N3O2 — CID 83916567

IUPAC4-amino-5,5-dimethyl-6,8-dihydro-1H-quinazoline-2,7-dione
SMILESCC1(C)CC(=O)Cc2[nH]c(=O)nc(N)c21
InChIInChI=1S/C10H13N3O2/c1-10(2)4-5(14)3-6-7(10)8(11)13-9(15)12-6/h3-4H2,1-2H3,(H3,11,12,13,15)
InChIKeyVAOJSVAVPWYUGF-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.14
Rot. Bonds

About 4-amino-5,5-dimethyl-6,8-dihydro-1H-quinazoline-2,7-dione

4-amino-5,5-dimethyl-6,8-dihydro-1H-quinazoline-2,7-dione (PubChem CID 83916567) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-amino-5,5-dimethyl-6,8-dihydro-1H-quinazoline-2,7-dione.

Molecular Properties

Compound Name4-amino-5,5-dimethyl-6,8-dihydro-1H-quinazoline-2,7-dione
PubChem CID83916567
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-amino-5,5-dimethyl-6,8-dihydro-1H-quinazoline-2,7-dione
SMILESCC1(C)CC(=O)Cc2[nH]c(=O)nc(N)c21
InChIInChI=1S/C10H13N3O2/c1-10(2)4-5(14)3-6-7(10)8(11)13-9(15)12-6/h3-4H2,1-2H3,(H3,11,12,13,15)
InChIKeyVAOJSVAVPWYUGF-UHFFFAOYSA-N
XLogP0.14
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5-dimethyl-6,8-dihydro-1H-quinazoline-2,7-dione?
The IUPAC name of 4-amino-5,5-dimethyl-6,8-dihydro-1H-quinazoline-2,7-dione (CID 83916567) is 4-amino-5,5-dimethyl-6,8-dihydro-1H-quinazoline-2,7-dione.
What is the SMILES notation for 4-amino-5,5-dimethyl-6,8-dihydro-1H-quinazoline-2,7-dione?
The canonical SMILES for 4-amino-5,5-dimethyl-6,8-dihydro-1H-quinazoline-2,7-dione is CC1(C)CC(=O)Cc2[nH]c(=O)nc(N)c21.
What is the InChIKey of 4-amino-5,5-dimethyl-6,8-dihydro-1H-quinazoline-2,7-dione?
The InChIKey is VAOJSVAVPWYUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-10(2)4-5(14)3-6-7(10)8(11)13-9(15)12-6/h3-4H2,1-2H3,(H3,11,12,13,15).
What are the key properties of 4-amino-5,5-dimethyl-6,8-dihydro-1H-quinazoline-2,7-dione?
4-amino-5,5-dimethyl-6,8-dihydro-1H-quinazoline-2,7-dione has a molecular weight of 207.23 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5-dimethyl-6,8-dihydro-1H-quinazoline-2,7-dione is sourced from PubChem (CID 83916567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).