4-(2-aminoethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione

C10H13N3O2 — CID 83863486

IUPAC4-(2-aminoethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione
SMILESNCCc1nc(=O)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C10H13N3O2/c11-5-4-7-9-6(12-10(15)13-7)2-1-3-8(9)14/h1-5,11H2,(H,12,13,15)
InChIKeyVLAVHEBNNAPMOM-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.21
Rot. Bonds2

About 4-(2-aminoethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione

4-(2-aminoethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione (PubChem CID 83863486) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name4-(2-aminoethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione
PubChem CID83863486
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-(2-aminoethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione
SMILESNCCc1nc(=O)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C10H13N3O2/c11-5-4-7-9-6(12-10(15)13-7)2-1-3-8(9)14/h1-5,11H2,(H,12,13,15)
InChIKeyVLAVHEBNNAPMOM-UHFFFAOYSA-N
XLogP-0.21
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The IUPAC name of 4-(2-aminoethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione (CID 83863486) is 4-(2-aminoethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione.
What is the SMILES notation for 4-(2-aminoethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The canonical SMILES for 4-(2-aminoethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione is NCCc1nc(=O)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 4-(2-aminoethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The InChIKey is VLAVHEBNNAPMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-5-4-7-9-6(12-10(15)13-7)2-1-3-8(9)14/h1-5,11H2,(H,12,13,15).
What are the key properties of 4-(2-aminoethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione?
4-(2-aminoethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione has a molecular weight of 207.23 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione is sourced from PubChem (CID 83863486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).