8-amino-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one

C10H15N3O — CID 112712756

IUPAC8-amino-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one
SMILESCC1(C)Cc2cnc(=O)[nH]c2C(N)C1
InChIInChI=1S/C10H15N3O/c1-10(2)3-6-5-12-9(14)13-8(6)7(11)4-10/h5,7H,3-4,11H2,1-2H3,(H,12,13,14)
InChIKeyZZTWSBDXCXSAFS-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.74
Rot. Bonds

About 8-amino-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one

8-amino-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one (PubChem CID 112712756) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 8-amino-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one.

Molecular Properties

Compound Name8-amino-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one
PubChem CID112712756
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name8-amino-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one
SMILESCC1(C)Cc2cnc(=O)[nH]c2C(N)C1
InChIInChI=1S/C10H15N3O/c1-10(2)3-6-5-12-9(14)13-8(6)7(11)4-10/h5,7H,3-4,11H2,1-2H3,(H,12,13,14)
InChIKeyZZTWSBDXCXSAFS-UHFFFAOYSA-N
XLogP0.74
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one?
The IUPAC name of 8-amino-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one (CID 112712756) is 8-amino-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one.
What is the SMILES notation for 8-amino-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one?
The canonical SMILES for 8-amino-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one is CC1(C)Cc2cnc(=O)[nH]c2C(N)C1.
What is the InChIKey of 8-amino-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one?
The InChIKey is ZZTWSBDXCXSAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-10(2)3-6-5-12-9(14)13-8(6)7(11)4-10/h5,7H,3-4,11H2,1-2H3,(H,12,13,14).
What are the key properties of 8-amino-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one?
8-amino-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one is sourced from PubChem (CID 112712756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).