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

C9H11N3O2 — CID 82402202

IUPAC7-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione
SMILESNCC1CC(=O)c2cnc(=O)[nH]c2C1
InChIInChI=1S/C9H11N3O2/c10-3-5-1-7-6(8(13)2-5)4-11-9(14)12-7/h4-5H,1-3,10H2,(H,11,12,14)
InChIKeyMRKZKWZBCLDILH-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.53
Rot. Bonds1

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

7-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione (PubChem CID 82402202) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 7-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name7-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione
PubChem CID82402202
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name7-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione
SMILESNCC1CC(=O)c2cnc(=O)[nH]c2C1
InChIInChI=1S/C9H11N3O2/c10-3-5-1-7-6(8(13)2-5)4-11-9(14)12-7/h4-5H,1-3,10H2,(H,11,12,14)
InChIKeyMRKZKWZBCLDILH-UHFFFAOYSA-N
XLogP-0.53
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 ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The IUPAC name of 7-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione (CID 82402202) is 7-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione.
What is the SMILES notation for 7-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The canonical SMILES for 7-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione is NCC1CC(=O)c2cnc(=O)[nH]c2C1.
What is the InChIKey of 7-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The InChIKey is MRKZKWZBCLDILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-3-5-1-7-6(8(13)2-5)4-11-9(14)12-7/h4-5H,1-3,10H2,(H,11,12,14).
What are the key properties of 7-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione?
7-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione has a molecular weight of 193.21 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione is sourced from PubChem (CID 82402202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).