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

C10H13N3O2 — CID 83863488

IUPAC4-(methylaminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione
SMILESCNCc1nc(=O)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C10H13N3O2/c1-11-5-7-9-6(12-10(15)13-7)3-2-4-8(9)14/h11H,2-5H2,1H3,(H,12,13,15)
InChIKeyAPLXLZAWTGGSGX-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.01
Rot. Bonds2

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

4-(methylaminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione (PubChem CID 83863488) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(methylaminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name4-(methylaminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione
PubChem CID83863488
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-(methylaminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione
SMILESCNCc1nc(=O)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C10H13N3O2/c1-11-5-7-9-6(12-10(15)13-7)3-2-4-8(9)14/h11H,2-5H2,1H3,(H,12,13,15)
InChIKeyAPLXLZAWTGGSGX-UHFFFAOYSA-N
XLogP0.01
TPSA74.85 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 ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The IUPAC name of 4-(methylaminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione (CID 83863488) is 4-(methylaminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione.
What is the SMILES notation for 4-(methylaminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The canonical SMILES for 4-(methylaminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione is CNCc1nc(=O)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 4-(methylaminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The InChIKey is APLXLZAWTGGSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-11-5-7-9-6(12-10(15)13-7)3-2-4-8(9)14/h11H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 4-(methylaminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione?
4-(methylaminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione has a molecular weight of 207.23 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-1,6,7,8-tetrahydroquinazoline-2,5-dione is sourced from PubChem (CID 83863488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).