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

C12H17N3O2 — CID 83863517

IUPAC4-(2-aminoethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione
SMILESCC1(C)CC(=O)c2c(CCN)nc(=O)[nH]c2C1
InChIInChI=1S/C12H17N3O2/c1-12(2)5-8-10(9(16)6-12)7(3-4-13)14-11(17)15-8/h3-6,13H2,1-2H3,(H,14,15,17)
InChIKeyQRFJUIZSUSVJKB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.43
Rot. Bonds2

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

4-(2-aminoethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione (PubChem CID 83863517) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(2-aminoethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione.

Molecular Properties

Compound Name4-(2-aminoethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione
PubChem CID83863517
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(2-aminoethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione
SMILESCC1(C)CC(=O)c2c(CCN)nc(=O)[nH]c2C1
InChIInChI=1S/C12H17N3O2/c1-12(2)5-8-10(9(16)6-12)7(3-4-13)14-11(17)15-8/h3-6,13H2,1-2H3,(H,14,15,17)
InChIKeyQRFJUIZSUSVJKB-UHFFFAOYSA-N
XLogP0.43
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione?
The IUPAC name of 4-(2-aminoethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione (CID 83863517) is 4-(2-aminoethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione.
What is the SMILES notation for 4-(2-aminoethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione?
The canonical SMILES for 4-(2-aminoethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione is CC1(C)CC(=O)c2c(CCN)nc(=O)[nH]c2C1.
What is the InChIKey of 4-(2-aminoethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione?
The InChIKey is QRFJUIZSUSVJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2)5-8-10(9(16)6-12)7(3-4-13)14-11(17)15-8/h3-6,13H2,1-2H3,(H,14,15,17).
What are the key properties of 4-(2-aminoethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione?
4-(2-aminoethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione has a molecular weight of 235.29 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-7,7-dimethyl-6,8-dihydro-1H-quinazoline-2,5-dione is sourced from PubChem (CID 83863517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).