4-chloro-6-(methoxymethyl)-2-phenylpyrimidine

C12H11ClN2O — CID 2763927

IUPAC4-chloro-6-(methoxymethyl)-2-phenylpyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C12H11ClN2O/c1-16-8-10-7-11(13)15-12(14-10)9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyGSSSCZAOXFZADM-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.94
Rot. Bonds3

About 4-chloro-6-(methoxymethyl)-2-phenylpyrimidine

4-chloro-6-(methoxymethyl)-2-phenylpyrimidine (PubChem CID 2763927) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-2-phenylpyrimidine
PubChem CID2763927
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-chloro-6-(methoxymethyl)-2-phenylpyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C12H11ClN2O/c1-16-8-10-7-11(13)15-12(14-10)9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyGSSSCZAOXFZADM-UHFFFAOYSA-N
XLogP2.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methoxymethyl)-2-phenylpyrimidine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-2-phenylpyrimidine (CID 2763927) is 4-chloro-6-(methoxymethyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-2-phenylpyrimidine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-2-phenylpyrimidine is COCc1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-2-phenylpyrimidine?
The InChIKey is GSSSCZAOXFZADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-16-8-10-7-11(13)15-12(14-10)9-5-3-2-4-6-9/h2-7H,8H2,1H3.
What are the key properties of 4-chloro-6-(methoxymethyl)-2-phenylpyrimidine?
4-chloro-6-(methoxymethyl)-2-phenylpyrimidine has a molecular weight of 234.69 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methoxymethyl)-2-phenylpyrimidine is sourced from PubChem (CID 2763927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).