4-(aminomethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione

C11H15N3O2 — CID 83863519

IUPAC4-(aminomethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione
SMILESCC1(C)CC(=O)c2c(CN)nc(=O)[nH]c2C1
InChIInChI=1S/C11H15N3O2/c1-11(2)3-6-9(8(15)4-11)7(5-12)14-10(16)13-6/h3-5,12H2,1-2H3,(H,13,14,16)
InChIKeyPHDMWRCVBVFJLU-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.38
Rot. Bonds1

About 4-(aminomethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione

4-(aminomethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione (PubChem CID 83863519) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(aminomethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione.

Molecular Properties

Compound Name4-(aminomethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione
PubChem CID83863519
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-(aminomethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione
SMILESCC1(C)CC(=O)c2c(CN)nc(=O)[nH]c2C1
InChIInChI=1S/C11H15N3O2/c1-11(2)3-6-9(8(15)4-11)7(5-12)14-10(16)13-6/h3-5,12H2,1-2H3,(H,13,14,16)
InChIKeyPHDMWRCVBVFJLU-UHFFFAOYSA-N
XLogP0.38
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione?
The IUPAC name of 4-(aminomethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione (CID 83863519) is 4-(aminomethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione.
What is the SMILES notation for 4-(aminomethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione?
The canonical SMILES for 4-(aminomethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione is CC1(C)CC(=O)c2c(CN)nc(=O)[nH]c2C1.
What is the InChIKey of 4-(aminomethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione?
The InChIKey is PHDMWRCVBVFJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(2)3-6-9(8(15)4-11)7(5-12)14-10(16)13-6/h3-5,12H2,1-2H3,(H,13,14,16).
What are the key properties of 4-(aminomethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione?
4-(aminomethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione has a molecular weight of 221.26 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione is sourced from PubChem (CID 83863519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).