2-[hydroxy(pyrimidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one

C15H14N2O2 — CID 10729612

IUPAC2-[hydroxy(pyrimidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1C(O)c1ccncn1
InChIInChI=1S/C15H14N2O2/c18-14-11-4-2-1-3-10(11)5-6-12(14)15(19)13-7-8-16-9-17-13/h1-4,7-9,12,15,19H,5-6H2
InChIKeyQSUQBHJIRSEQES-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.96
Rot. Bonds2

About 2-[hydroxy(pyrimidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one

2-[hydroxy(pyrimidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10729612) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[hydroxy(pyrimidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[hydroxy(pyrimidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10729612
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[hydroxy(pyrimidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1C(O)c1ccncn1
InChIInChI=1S/C15H14N2O2/c18-14-11-4-2-1-3-10(11)5-6-12(14)15(19)13-7-8-16-9-17-13/h1-4,7-9,12,15,19H,5-6H2
InChIKeyQSUQBHJIRSEQES-UHFFFAOYSA-N
XLogP1.96
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[hydroxy(pyrimidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(pyrimidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[hydroxy(pyrimidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 10729612) is 2-[hydroxy(pyrimidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[hydroxy(pyrimidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[hydroxy(pyrimidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1C(O)c1ccncn1.
What is the InChIKey of 2-[hydroxy(pyrimidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is QSUQBHJIRSEQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-14-11-4-2-1-3-10(11)5-6-12(14)15(19)13-7-8-16-9-17-13/h1-4,7-9,12,15,19H,5-6H2.
What are the key properties of 2-[hydroxy(pyrimidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
2-[hydroxy(pyrimidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 254.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(pyrimidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10729612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).