7-amino-4,4-dimethyl-1,3-dihydroquinazolin-2-one

C10H13N3O — CID 134828339

IUPAC7-amino-4,4-dimethyl-1,3-dihydroquinazolin-2-one
SMILESCC1(C)NC(=O)Nc2cc(N)ccc21
InChIInChI=1S/C10H13N3O/c1-10(2)7-4-3-6(11)5-8(7)12-9(14)13-10/h3-5H,11H2,1-2H3,(H2,12,13,14)
InChIKeyRYGQDMABHVUNOL-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.64
Rot. Bonds

About 7-amino-4,4-dimethyl-1,3-dihydroquinazolin-2-one

7-amino-4,4-dimethyl-1,3-dihydroquinazolin-2-one (PubChem CID 134828339) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 7-amino-4,4-dimethyl-1,3-dihydroquinazolin-2-one.

Molecular Properties

Compound Name7-amino-4,4-dimethyl-1,3-dihydroquinazolin-2-one
PubChem CID134828339
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name7-amino-4,4-dimethyl-1,3-dihydroquinazolin-2-one
SMILESCC1(C)NC(=O)Nc2cc(N)ccc21
InChIInChI=1S/C10H13N3O/c1-10(2)7-4-3-6(11)5-8(7)12-9(14)13-10/h3-5H,11H2,1-2H3,(H2,12,13,14)
InChIKeyRYGQDMABHVUNOL-UHFFFAOYSA-N
XLogP1.64
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4,4-dimethyl-1,3-dihydroquinazolin-2-one?
The IUPAC name of 7-amino-4,4-dimethyl-1,3-dihydroquinazolin-2-one (CID 134828339) is 7-amino-4,4-dimethyl-1,3-dihydroquinazolin-2-one.
What is the SMILES notation for 7-amino-4,4-dimethyl-1,3-dihydroquinazolin-2-one?
The canonical SMILES for 7-amino-4,4-dimethyl-1,3-dihydroquinazolin-2-one is CC1(C)NC(=O)Nc2cc(N)ccc21.
What is the InChIKey of 7-amino-4,4-dimethyl-1,3-dihydroquinazolin-2-one?
The InChIKey is RYGQDMABHVUNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(2)7-4-3-6(11)5-8(7)12-9(14)13-10/h3-5H,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 7-amino-4,4-dimethyl-1,3-dihydroquinazolin-2-one?
7-amino-4,4-dimethyl-1,3-dihydroquinazolin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.64, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4,4-dimethyl-1,3-dihydroquinazolin-2-one is sourced from PubChem (CID 134828339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).