6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione

C18H17N3O3 — CID 137073220

IUPAC6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione
SMILESCCC/N=C/c1c(O)n(-c2cccc3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C18H17N3O3/c1-2-10-19-11-14-16(22)20-18(24)21(17(14)23)15-9-5-7-12-6-3-4-8-13(12)15/h3-9,11,23H,2,10H2,1H3,(H,20,22,24)/b19-11+
InChIKeySAKCNRRNQULBQC-YBFXNURJSA-N
MW323.35 g/mol
LogP2.21
Rot. Bonds4

About 6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione

6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione (PubChem CID 137073220) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione
PubChem CID137073220
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione
SMILESCCC/N=C/c1c(O)n(-c2cccc3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C18H17N3O3/c1-2-10-19-11-14-16(22)20-18(24)21(17(14)23)15-9-5-7-12-6-3-4-8-13(12)15/h3-9,11,23H,2,10H2,1H3,(H,20,22,24)/b19-11+
InChIKeySAKCNRRNQULBQC-YBFXNURJSA-N
XLogP2.21
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione (CID 137073220) is 6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione is CCC/N=C/c1c(O)n(-c2cccc3ccccc23)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione?
The InChIKey is SAKCNRRNQULBQC-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-10-19-11-14-16(22)20-18(24)21(17(14)23)15-9-5-7-12-6-3-4-8-13(12)15/h3-9,11,23H,2,10H2,1H3,(H,20,22,24)/b19-11+.
What are the key properties of 6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione?
6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione has a molecular weight of 323.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-naphthalen-1-yl-5-(propyliminomethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 137073220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).