4-(2-aminoethyl)-5-hydroxy-7,7-dimethyl-1,5,6,8-tetrahydroquinazolin-2-one

C12H19N3O2 — CID 83870356

IUPAC4-(2-aminoethyl)-5-hydroxy-7,7-dimethyl-1,5,6,8-tetrahydroquinazolin-2-one
SMILESCC1(C)Cc2[nH]c(=O)nc(CCN)c2C(O)C1
InChIInChI=1S/C12H19N3O2/c1-12(2)5-8-10(9(16)6-12)7(3-4-13)14-11(17)15-8/h9,16H,3-6,13H2,1-2H3,(H,14,15,17)
InChIKeyHVNPWJLPUMPGIK-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.28
Rot. Bonds2

About 4-(2-aminoethyl)-5-hydroxy-7,7-dimethyl-1,5,6,8-tetrahydroquinazolin-2-one

4-(2-aminoethyl)-5-hydroxy-7,7-dimethyl-1,5,6,8-tetrahydroquinazolin-2-one (PubChem CID 83870356) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-hydroxy-7,7-dimethyl-1,5,6,8-tetrahydroquinazolin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-hydroxy-7,7-dimethyl-1,5,6,8-tetrahydroquinazolin-2-one
PubChem CID83870356
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(2-aminoethyl)-5-hydroxy-7,7-dimethyl-1,5,6,8-tetrahydroquinazolin-2-one
SMILESCC1(C)Cc2[nH]c(=O)nc(CCN)c2C(O)C1
InChIInChI=1S/C12H19N3O2/c1-12(2)5-8-10(9(16)6-12)7(3-4-13)14-11(17)15-8/h9,16H,3-6,13H2,1-2H3,(H,14,15,17)
InChIKeyHVNPWJLPUMPGIK-UHFFFAOYSA-N
XLogP0.28
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-hydroxy-7,7-dimethyl-1,5,6,8-tetrahydroquinazolin-2-one?
The IUPAC name of 4-(2-aminoethyl)-5-hydroxy-7,7-dimethyl-1,5,6,8-tetrahydroquinazolin-2-one (CID 83870356) is 4-(2-aminoethyl)-5-hydroxy-7,7-dimethyl-1,5,6,8-tetrahydroquinazolin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-5-hydroxy-7,7-dimethyl-1,5,6,8-tetrahydroquinazolin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-5-hydroxy-7,7-dimethyl-1,5,6,8-tetrahydroquinazolin-2-one is CC1(C)Cc2[nH]c(=O)nc(CCN)c2C(O)C1.
What is the InChIKey of 4-(2-aminoethyl)-5-hydroxy-7,7-dimethyl-1,5,6,8-tetrahydroquinazolin-2-one?
The InChIKey is HVNPWJLPUMPGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2)5-8-10(9(16)6-12)7(3-4-13)14-11(17)15-8/h9,16H,3-6,13H2,1-2H3,(H,14,15,17).
What are the key properties of 4-(2-aminoethyl)-5-hydroxy-7,7-dimethyl-1,5,6,8-tetrahydroquinazolin-2-one?
4-(2-aminoethyl)-5-hydroxy-7,7-dimethyl-1,5,6,8-tetrahydroquinazolin-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-hydroxy-7,7-dimethyl-1,5,6,8-tetrahydroquinazolin-2-one is sourced from PubChem (CID 83870356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).