5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-1H-pyrimidine-2,4-dione

C21H16N2O3 — CID 42617955

IUPAC5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]1
InChIInChI=1S/C21H16N2O3/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)
InChIKeyBOEUNAWDUGCXIV-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.18
Rot. Bonds3

About 5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-1H-pyrimidine-2,4-dione

5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-1H-pyrimidine-2,4-dione (PubChem CID 42617955) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-1H-pyrimidine-2,4-dione
PubChem CID42617955
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]1
InChIInChI=1S/C21H16N2O3/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)
InChIKeyBOEUNAWDUGCXIV-UHFFFAOYSA-N
XLogP3.18
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-1H-pyrimidine-2,4-dione (CID 42617955) is 5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-1H-pyrimidine-2,4-dione is O=c1[nH]c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]1.
What is the InChIKey of 5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-1H-pyrimidine-2,4-dione?
The InChIKey is BOEUNAWDUGCXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26).
What are the key properties of 5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-1H-pyrimidine-2,4-dione?
5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-1H-pyrimidine-2,4-dione has a molecular weight of 344.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 42617955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).