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

C9H11N3O2 — CID 83863489

IUPAC4-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione
SMILESNCc1nc(=O)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C9H11N3O2/c10-4-6-8-5(11-9(14)12-6)2-1-3-7(8)13/h1-4,10H2,(H,11,12,14)
InChIKeyWKKRBLUNLUBLQY-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.25
Rot. Bonds1

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

4-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione (PubChem CID 83863489) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name4-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione
PubChem CID83863489
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione
SMILESNCc1nc(=O)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C9H11N3O2/c10-4-6-8-5(11-9(14)12-6)2-1-3-7(8)13/h1-4,10H2,(H,11,12,14)
InChIKeyWKKRBLUNLUBLQY-UHFFFAOYSA-N
XLogP-0.25
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The IUPAC name of 4-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione (CID 83863489) is 4-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione.
What is the SMILES notation for 4-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The canonical SMILES for 4-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione is NCc1nc(=O)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 4-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The InChIKey is WKKRBLUNLUBLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-4-6-8-5(11-9(14)12-6)2-1-3-7(8)13/h1-4,10H2,(H,11,12,14).
What are the key properties of 4-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione?
4-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione has a molecular weight of 193.21 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione is sourced from PubChem (CID 83863489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).