2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine

C14H16N2O2 — CID 151551370

IUPAC2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine
SMILESCOCCOc1ccc(Cc2ncccn2)cc1
InChIInChI=1S/C14H16N2O2/c1-17-9-10-18-13-5-3-12(4-6-13)11-14-15-7-2-8-16-14/h2-8H,9-11H2,1H3
InChIKeyQAOFCTNNAMLBSS-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.09
Rot. Bonds6

About 2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine

2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine (PubChem CID 151551370) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine
PubChem CID151551370
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine
SMILESCOCCOc1ccc(Cc2ncccn2)cc1
InChIInChI=1S/C14H16N2O2/c1-17-9-10-18-13-5-3-12(4-6-13)11-14-15-7-2-8-16-14/h2-8H,9-11H2,1H3
InChIKeyQAOFCTNNAMLBSS-UHFFFAOYSA-N
XLogP2.09
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyrilamine
CID 4992
Diaveridine
CID 21453
Thonzylamine
CID 5457
Thonzonium
CID 5456
Thonzylamine Hydrochloride
CID 6136
Thonzonium Bromide
CID 11102
2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
2,4-Pyrimidinediamine, 5-((4-ethoxy-3-methoxyphenyl)methyl)-
CID 463109
2,4-Pyrimidinediamine, 5-((3-methoxy-4-(phenylmethoxy)phenyl)methyl)-
CID 463124
GW-2580
CID 11617559
2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
2,4-Pyrimidinediamine, 5-((3-methoxy-4-(2-propenyloxy)phenyl)methyl)-
CID 3078601

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine?
The IUPAC name of 2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine (CID 151551370) is 2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine.
What is the SMILES notation for 2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine?
The canonical SMILES for 2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine is COCCOc1ccc(Cc2ncccn2)cc1.
What is the InChIKey of 2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine?
The InChIKey is QAOFCTNNAMLBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-9-10-18-13-5-3-12(4-6-13)11-14-15-7-2-8-16-14/h2-8H,9-11H2,1H3.
What are the key properties of 2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine?
2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine has a molecular weight of 244.29 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine is sourced from PubChem (CID 151551370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).