6-chloro-5-naphthalen-1-yl-1H-pyrimidine-2,4-dione

C14H9ClN2O2 — CID 23648520

IUPAC6-chloro-5-naphthalen-1-yl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(-c2cccc3ccccc23)c(=O)[nH]1
InChIInChI=1S/C14H9ClN2O2/c15-12-11(13(18)17-14(19)16-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,16,17,18,19)
InChIKeyUVHCRAHBQXOTTO-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.54
Rot. Bonds1

About 6-chloro-5-naphthalen-1-yl-1H-pyrimidine-2,4-dione

6-chloro-5-naphthalen-1-yl-1H-pyrimidine-2,4-dione (PubChem CID 23648520) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 6-chloro-5-naphthalen-1-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-naphthalen-1-yl-1H-pyrimidine-2,4-dione
PubChem CID23648520
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name6-chloro-5-naphthalen-1-yl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(-c2cccc3ccccc23)c(=O)[nH]1
InChIInChI=1S/C14H9ClN2O2/c15-12-11(13(18)17-14(19)16-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,16,17,18,19)
InChIKeyUVHCRAHBQXOTTO-UHFFFAOYSA-N
XLogP2.54
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-naphthalen-1-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-naphthalen-1-yl-1H-pyrimidine-2,4-dione (CID 23648520) is 6-chloro-5-naphthalen-1-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-naphthalen-1-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-naphthalen-1-yl-1H-pyrimidine-2,4-dione is O=c1[nH]c(Cl)c(-c2cccc3ccccc23)c(=O)[nH]1.
What is the InChIKey of 6-chloro-5-naphthalen-1-yl-1H-pyrimidine-2,4-dione?
The InChIKey is UVHCRAHBQXOTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-12-11(13(18)17-14(19)16-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,16,17,18,19).
What are the key properties of 6-chloro-5-naphthalen-1-yl-1H-pyrimidine-2,4-dione?
6-chloro-5-naphthalen-1-yl-1H-pyrimidine-2,4-dione has a molecular weight of 272.69 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-naphthalen-1-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23648520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).