5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione

C16H16N2O3 — CID 43339138

IUPAC5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)c2ccc3c(c2)CCC3)c(=O)n(C)c1=O
InChIInChI=1S/C16H16N2O3/c1-17-9-13(15(20)18(2)16(17)21)14(19)12-7-6-10-4-3-5-11(10)8-12/h6-9H,3-5H2,1-2H3
InChIKeyVTUODHLMCXSKLN-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.80
Rot. Bonds2

About 5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione

5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43339138) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43339138
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)c2ccc3c(c2)CCC3)c(=O)n(C)c1=O
InChIInChI=1S/C16H16N2O3/c1-17-9-13(15(20)18(2)16(17)21)14(19)12-7-6-10-4-3-5-11(10)8-12/h6-9H,3-5H2,1-2H3
InChIKeyVTUODHLMCXSKLN-UHFFFAOYSA-N
XLogP0.80
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione (CID 43339138) is 5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(C(=O)c2ccc3c(c2)CCC3)c(=O)n(C)c1=O.
What is the InChIKey of 5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is VTUODHLMCXSKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-17-9-13(15(20)18(2)16(17)21)14(19)12-7-6-10-4-3-5-11(10)8-12/h6-9H,3-5H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 284.32 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43339138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).