5-methyl-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione

C12H18N2O2 — CID 610115

IUPAC5-methyl-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
SMILESCC1CCC(C(C)C)c2[nH]c(=O)[nH]c(=O)c21
InChIInChI=1S/C12H18N2O2/c1-6(2)8-5-4-7(3)9-10(8)13-12(16)14-11(9)15/h6-8H,4-5H2,1-3H3,(H2,13,14,15,16)
InChIKeyWYCRILDAKVPJRG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.70
Rot. Bonds1

About 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione

5-methyl-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione (PubChem CID 610115) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-methyl-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
PubChem CID610115
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-methyl-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
SMILESCC1CCC(C(C)C)c2[nH]c(=O)[nH]c(=O)c21
InChIInChI=1S/C12H18N2O2/c1-6(2)8-5-4-7(3)9-10(8)13-12(16)14-11(9)15/h6-8H,4-5H2,1-3H3,(H2,13,14,15,16)
InChIKeyWYCRILDAKVPJRG-UHFFFAOYSA-N
XLogP1.70
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The IUPAC name of 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione (CID 610115) is 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione is CC1CCC(C(C)C)c2[nH]c(=O)[nH]c(=O)c21.
What is the InChIKey of 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
The InChIKey is WYCRILDAKVPJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-6(2)8-5-4-7(3)9-10(8)13-12(16)14-11(9)15/h6-8H,4-5H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione?
5-methyl-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 610115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).