4-propan-2-yl-1,6,7,8-tetrahydroquinazoline-2,5-dione

C11H14N2O2 — CID 83861395

IUPAC4-propan-2-yl-1,6,7,8-tetrahydroquinazoline-2,5-dione
SMILESCC(C)c1nc(=O)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C11H14N2O2/c1-6(2)10-9-7(12-11(15)13-10)4-3-5-8(9)14/h6H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyYSYNCVKCBFHNAB-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.41
Rot. Bonds1

About 4-propan-2-yl-1,6,7,8-tetrahydroquinazoline-2,5-dione

4-propan-2-yl-1,6,7,8-tetrahydroquinazoline-2,5-dione (PubChem CID 83861395) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-propan-2-yl-1,6,7,8-tetrahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name4-propan-2-yl-1,6,7,8-tetrahydroquinazoline-2,5-dione
PubChem CID83861395
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-propan-2-yl-1,6,7,8-tetrahydroquinazoline-2,5-dione
SMILESCC(C)c1nc(=O)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C11H14N2O2/c1-6(2)10-9-7(12-11(15)13-10)4-3-5-8(9)14/h6H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyYSYNCVKCBFHNAB-UHFFFAOYSA-N
XLogP1.41
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The IUPAC name of 4-propan-2-yl-1,6,7,8-tetrahydroquinazoline-2,5-dione (CID 83861395) is 4-propan-2-yl-1,6,7,8-tetrahydroquinazoline-2,5-dione.
What is the SMILES notation for 4-propan-2-yl-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The canonical SMILES for 4-propan-2-yl-1,6,7,8-tetrahydroquinazoline-2,5-dione is CC(C)c1nc(=O)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 4-propan-2-yl-1,6,7,8-tetrahydroquinazoline-2,5-dione?
The InChIKey is YSYNCVKCBFHNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-6(2)10-9-7(12-11(15)13-10)4-3-5-8(9)14/h6H,3-5H2,1-2H3,(H,12,13,15).
What are the key properties of 4-propan-2-yl-1,6,7,8-tetrahydroquinazoline-2,5-dione?
4-propan-2-yl-1,6,7,8-tetrahydroquinazoline-2,5-dione has a molecular weight of 206.25 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,6,7,8-tetrahydroquinazoline-2,5-dione is sourced from PubChem (CID 83861395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).