anthracen-1-yl(pyrimidin-4-yl)methanone

C19H12N2O — CID 173459735

IUPACanthracen-1-yl(pyrimidin-4-yl)methanone
SMILESO=C(c1ccncn1)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H12N2O/c22-19(18-8-9-20-12-21-18)16-7-3-6-15-10-13-4-1-2-5-14(13)11-17(15)16/h1-12H
InChIKeyOCVGQRHUIVPMHE-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.01
Rot. Bonds2

About anthracen-1-yl(pyrimidin-4-yl)methanone

anthracen-1-yl(pyrimidin-4-yl)methanone (PubChem CID 173459735) has the molecular formula C19H12N2O and a molecular weight of 284.32 g/mol. Its IUPAC name is anthracen-1-yl(pyrimidin-4-yl)methanone.

Molecular Properties

Compound Nameanthracen-1-yl(pyrimidin-4-yl)methanone
PubChem CID173459735
Molecular FormulaC19H12N2O
Molecular Weight284.32 g/mol
Exact Mass284.09
IUPAC Nameanthracen-1-yl(pyrimidin-4-yl)methanone
SMILESO=C(c1ccncn1)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H12N2O/c22-19(18-8-9-20-12-21-18)16-7-3-6-15-10-13-4-1-2-5-14(13)11-17(15)16/h1-12H
InChIKeyOCVGQRHUIVPMHE-UHFFFAOYSA-N
XLogP4.01
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

isoquinolin-8-yl(pyrimidin-4-yl)methanone
CID 103143293
(2-hydroxyphenyl)-pyrimidin-4-ylmethanone
CID 173459739
pyrimidin-4-yl(quinolin-5-yl)methanone
CID 81220260
anthracene-1-carboxamide;pyridine-2-carboxamide
CID 87214967
N-naphthalen-2-ylpyrimidine-4-carboxamide
CID 140508314
disodium bis(anthracene-1-carboxylate)
CID 155667370
(3-methylphenyl)-pyrimidin-4-ylmethanone
CID 63989761
fluoro anthracene-1-carboxylate
CID 177083342
bis(5-chloroanthracen-1-yl)methanone
CID 175330463
(5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone
CID 63988733
2-anthracen-1-yl-1,3,5-triazine
CID 87717818
anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone
CID 10065533

Frequently Asked Questions

What is the IUPAC name of anthracen-1-yl(pyrimidin-4-yl)methanone?
The IUPAC name of anthracen-1-yl(pyrimidin-4-yl)methanone (CID 173459735) is anthracen-1-yl(pyrimidin-4-yl)methanone.
What is the SMILES notation for anthracen-1-yl(pyrimidin-4-yl)methanone?
The canonical SMILES for anthracen-1-yl(pyrimidin-4-yl)methanone is O=C(c1ccncn1)c1cccc2cc3ccccc3cc12.
What is the InChIKey of anthracen-1-yl(pyrimidin-4-yl)methanone?
The InChIKey is OCVGQRHUIVPMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O/c22-19(18-8-9-20-12-21-18)16-7-3-6-15-10-13-4-1-2-5-14(13)11-17(15)16/h1-12H.
What are the key properties of anthracen-1-yl(pyrimidin-4-yl)methanone?
anthracen-1-yl(pyrimidin-4-yl)methanone has a molecular weight of 284.32 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-1-yl(pyrimidin-4-yl)methanone is sourced from PubChem (CID 173459735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).