1,3-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-dione

C10H14N2O2 — CID 12705976

IUPAC1,3-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CCCC2
InChIInChI=1S/C10H14N2O2/c1-11-8-6-4-3-5-7(8)9(13)12(2)10(11)14/h3-6H2,1-2H3
InChIKeyKDSLCKZPYHDLII-UHFFFAOYSA-N
MW194.23 g/mol
LogP-0.04
Rot. Bonds

About 1,3-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-dione

1,3-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-dione (PubChem CID 12705976) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1,3-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-dione
PubChem CID12705976
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1,3-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CCCC2
InChIInChI=1S/C10H14N2O2/c1-11-8-6-4-3-5-7(8)9(13)12(2)10(11)14/h3-6H2,1-2H3
InChIKeyKDSLCKZPYHDLII-UHFFFAOYSA-N
XLogP-0.04
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The IUPAC name of 1,3-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-dione (CID 12705976) is 1,3-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-dione is Cn1c2c(c(=O)n(C)c1=O)CCCC2.
What is the InChIKey of 1,3-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The InChIKey is KDSLCKZPYHDLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-11-8-6-4-3-5-7(8)9(13)12(2)10(11)14/h3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-dione?
1,3-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-dione has a molecular weight of 194.23 g/mol, XLogP of -0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-dione is sourced from PubChem (CID 12705976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).