2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine

C15H11ClN2O — CID 146440815

IUPAC2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine
SMILESClc1ccc(OCc2ncccn2)c2ccccc12
InChIInChI=1S/C15H11ClN2O/c16-13-6-7-14(12-5-2-1-4-11(12)13)19-10-15-17-8-3-9-18-15/h1-9H,10H2
InChIKeyJUULAVXZXQMGBA-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.86
Rot. Bonds3

About 2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine

2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine (PubChem CID 146440815) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine.

Molecular Properties

Compound Name2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine
PubChem CID146440815
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine
SMILESClc1ccc(OCc2ncccn2)c2ccccc12
InChIInChI=1S/C15H11ClN2O/c16-13-6-7-14(12-5-2-1-4-11(12)13)19-10-15-17-8-3-9-18-15/h1-9H,10H2
InChIKeyJUULAVXZXQMGBA-UHFFFAOYSA-N
XLogP3.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine?
The IUPAC name of 2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine (CID 146440815) is 2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine.
What is the SMILES notation for 2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine?
The canonical SMILES for 2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine is Clc1ccc(OCc2ncccn2)c2ccccc12.
What is the InChIKey of 2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine?
The InChIKey is JUULAVXZXQMGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-13-6-7-14(12-5-2-1-4-11(12)13)19-10-15-17-8-3-9-18-15/h1-9H,10H2.
What are the key properties of 2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine?
2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine has a molecular weight of 270.72 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine is sourced from PubChem (CID 146440815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).