1-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione

C15H12N2O2 — CID 7728248

IUPAC1-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2cccc3ccccc23)c(=O)[nH]1
InChIInChI=1S/C15H12N2O2/c18-14-8-9-17(15(19)16-14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2,(H,16,18,19)
InChIKeyQQIOHKNMQXNQFV-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.74
Rot. Bonds2

About 1-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione

1-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione (PubChem CID 7728248) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
PubChem CID7728248
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name1-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2cccc3ccccc23)c(=O)[nH]1
InChIInChI=1S/C15H12N2O2/c18-14-8-9-17(15(19)16-14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2,(H,16,18,19)
InChIKeyQQIOHKNMQXNQFV-UHFFFAOYSA-N
XLogP1.74
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione (CID 7728248) is 1-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione is O=c1ccn(Cc2cccc3ccccc23)c(=O)[nH]1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is QQIOHKNMQXNQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-14-8-9-17(15(19)16-14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2,(H,16,18,19).
What are the key properties of 1-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione?
1-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 252.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 7728248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).