8-(2-aminoethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one

C12H19N3O — CID 83890196

IUPAC8-(2-aminoethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one
SMILESCC1(C)Cc2cnc(=O)[nH]c2C(CCN)C1
InChIInChI=1S/C12H19N3O/c1-12(2)5-8(3-4-13)10-9(6-12)7-14-11(16)15-10/h7-8H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyIFDJVDXBKDAGRH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.17
Rot. Bonds2

About 8-(2-aminoethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one

8-(2-aminoethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one (PubChem CID 83890196) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 8-(2-aminoethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one.

Molecular Properties

Compound Name8-(2-aminoethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one
PubChem CID83890196
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name8-(2-aminoethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one
SMILESCC1(C)Cc2cnc(=O)[nH]c2C(CCN)C1
InChIInChI=1S/C12H19N3O/c1-12(2)5-8(3-4-13)10-9(6-12)7-14-11(16)15-10/h7-8H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeyIFDJVDXBKDAGRH-UHFFFAOYSA-N
XLogP1.17
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one?
The IUPAC name of 8-(2-aminoethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one (CID 83890196) is 8-(2-aminoethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one.
What is the SMILES notation for 8-(2-aminoethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one?
The canonical SMILES for 8-(2-aminoethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one is CC1(C)Cc2cnc(=O)[nH]c2C(CCN)C1.
What is the InChIKey of 8-(2-aminoethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one?
The InChIKey is IFDJVDXBKDAGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2)5-8(3-4-13)10-9(6-12)7-14-11(16)15-10/h7-8H,3-6,13H2,1-2H3,(H,14,15,16).
What are the key properties of 8-(2-aminoethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one?
8-(2-aminoethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-6,6-dimethyl-1,5,7,8-tetrahydroquinazolin-2-one is sourced from PubChem (CID 83890196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).