2-[(2,10-diethylanthracen-9-yl)methyl]pyrimidine

C23H22N2 — CID 90361391

IUPAC2-[(2,10-diethylanthracen-9-yl)methyl]pyrimidine
SMILESCCc1ccc2c(CC)c3ccccc3c(Cc3ncccn3)c2c1
InChIInChI=1S/C23H22N2/c1-3-16-10-11-20-17(4-2)18-8-5-6-9-19(18)22(21(20)14-16)15-23-24-12-7-13-25-23/h5-14H,3-4,15H2,1-2H3
InChIKeyASAKLQWLDVTRFY-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.50
Rot. Bonds4

About 2-[(2,10-diethylanthracen-9-yl)methyl]pyrimidine

2-[(2,10-diethylanthracen-9-yl)methyl]pyrimidine (PubChem CID 90361391) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[(2,10-diethylanthracen-9-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-[(2,10-diethylanthracen-9-yl)methyl]pyrimidine
PubChem CID90361391
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name2-[(2,10-diethylanthracen-9-yl)methyl]pyrimidine
SMILESCCc1ccc2c(CC)c3ccccc3c(Cc3ncccn3)c2c1
InChIInChI=1S/C23H22N2/c1-3-16-10-11-20-17(4-2)18-8-5-6-9-19(18)22(21(20)14-16)15-23-24-12-7-13-25-23/h5-14H,3-4,15H2,1-2H3
InChIKeyASAKLQWLDVTRFY-UHFFFAOYSA-N
XLogP5.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7,9-diethylbenzo[a]anthracene
CID 91740932
9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene
CID 59194323
2-ethyl-9,10-dimethylanthracene;methane
CID 157065860
2-ethyl-9,10-dimethylideneanthracene
CID 142246344
6-ethylpyrido[2,3-b]indol-9-amine
CID 91225284
2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene
CID 158794171
3-ethyldibenzofuran
CID 58510747
methyl 5-[2-(9,10-diethylanthracen-2-yl)ethyl]-2-methylbenzoate
CID 159378092
2-ethyl-9,10-di(nonoxy)anthracene
CID 139930282
2-ethyl-9,10-bis(ethylsulfanylmethoxy)anthracene
CID 139902073
ethane;ethylbenzene;6-ethylquinoline
CID 143817758
methyl 5-[3-ethyl-10-(5-methoxy-5-oxopentyl)anthracen-9-yl]pentanoate
CID 175944339

Frequently Asked Questions

What is the IUPAC name of 2-[(2,10-diethylanthracen-9-yl)methyl]pyrimidine?
The IUPAC name of 2-[(2,10-diethylanthracen-9-yl)methyl]pyrimidine (CID 90361391) is 2-[(2,10-diethylanthracen-9-yl)methyl]pyrimidine.
What is the SMILES notation for 2-[(2,10-diethylanthracen-9-yl)methyl]pyrimidine?
The canonical SMILES for 2-[(2,10-diethylanthracen-9-yl)methyl]pyrimidine is CCc1ccc2c(CC)c3ccccc3c(Cc3ncccn3)c2c1.
What is the InChIKey of 2-[(2,10-diethylanthracen-9-yl)methyl]pyrimidine?
The InChIKey is ASAKLQWLDVTRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-3-16-10-11-20-17(4-2)18-8-5-6-9-19(18)22(21(20)14-16)15-23-24-12-7-13-25-23/h5-14H,3-4,15H2,1-2H3.
What are the key properties of 2-[(2,10-diethylanthracen-9-yl)methyl]pyrimidine?
2-[(2,10-diethylanthracen-9-yl)methyl]pyrimidine has a molecular weight of 326.44 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,10-diethylanthracen-9-yl)methyl]pyrimidine is sourced from PubChem (CID 90361391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).