1-amino-3-methylquinazoline-2,4-dione

C9H9N3O2 — CID 14937715

IUPAC1-amino-3-methylquinazoline-2,4-dione
SMILESCn1c(=O)c2ccccc2n(N)c1=O
InChIInChI=1S/C9H9N3O2/c1-11-8(13)6-4-2-3-5-7(6)12(10)9(11)14/h2-5H,10H2,1H3
InChIKeyKCZYTLOHLYZBCW-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.59
Rot. Bonds

About 1-amino-3-methylquinazoline-2,4-dione

1-amino-3-methylquinazoline-2,4-dione (PubChem CID 14937715) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-amino-3-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-amino-3-methylquinazoline-2,4-dione
PubChem CID14937715
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1-amino-3-methylquinazoline-2,4-dione
SMILESCn1c(=O)c2ccccc2n(N)c1=O
InChIInChI=1S/C9H9N3O2/c1-11-8(13)6-4-2-3-5-7(6)12(10)9(11)14/h2-5H,10H2,1H3
InChIKeyKCZYTLOHLYZBCW-UHFFFAOYSA-N
XLogP-0.59
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methylquinazoline-2,4-dione?
The IUPAC name of 1-amino-3-methylquinazoline-2,4-dione (CID 14937715) is 1-amino-3-methylquinazoline-2,4-dione.
What is the SMILES notation for 1-amino-3-methylquinazoline-2,4-dione?
The canonical SMILES for 1-amino-3-methylquinazoline-2,4-dione is Cn1c(=O)c2ccccc2n(N)c1=O.
What is the InChIKey of 1-amino-3-methylquinazoline-2,4-dione?
The InChIKey is KCZYTLOHLYZBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-11-8(13)6-4-2-3-5-7(6)12(10)9(11)14/h2-5H,10H2,1H3.
What are the key properties of 1-amino-3-methylquinazoline-2,4-dione?
1-amino-3-methylquinazoline-2,4-dione has a molecular weight of 191.19 g/mol, XLogP of -0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methylquinazoline-2,4-dione is sourced from PubChem (CID 14937715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).