2-chloro-4-[(4-methoxyphenyl)methoxy]pyrimidine

C12H11ClN2O2 — CID 55065801

IUPAC2-chloro-4-[(4-methoxyphenyl)methoxy]pyrimidine
SMILESCOc1ccc(COc2ccnc(Cl)n2)cc1
InChIInChI=1S/C12H11ClN2O2/c1-16-10-4-2-9(3-5-10)8-17-11-6-7-14-12(13)15-11/h2-7H,8H2,1H3
InChIKeyVGFBIBSAMKTXNV-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.72
Rot. Bonds4

About 2-chloro-4-[(4-methoxyphenyl)methoxy]pyrimidine

2-chloro-4-[(4-methoxyphenyl)methoxy]pyrimidine (PubChem CID 55065801) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-chloro-4-[(4-methoxyphenyl)methoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(4-methoxyphenyl)methoxy]pyrimidine
PubChem CID55065801
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-chloro-4-[(4-methoxyphenyl)methoxy]pyrimidine
SMILESCOc1ccc(COc2ccnc(Cl)n2)cc1
InChIInChI=1S/C12H11ClN2O2/c1-16-10-4-2-9(3-5-10)8-17-11-6-7-14-12(13)15-11/h2-7H,8H2,1H3
InChIKeyVGFBIBSAMKTXNV-UHFFFAOYSA-N
XLogP2.72
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[(4-methoxyphenyl)methoxy]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-methoxyphenyl)methoxy]pyrimidine?
The IUPAC name of 2-chloro-4-[(4-methoxyphenyl)methoxy]pyrimidine (CID 55065801) is 2-chloro-4-[(4-methoxyphenyl)methoxy]pyrimidine.
What is the SMILES notation for 2-chloro-4-[(4-methoxyphenyl)methoxy]pyrimidine?
The canonical SMILES for 2-chloro-4-[(4-methoxyphenyl)methoxy]pyrimidine is COc1ccc(COc2ccnc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-4-[(4-methoxyphenyl)methoxy]pyrimidine?
The InChIKey is VGFBIBSAMKTXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-16-10-4-2-9(3-5-10)8-17-11-6-7-14-12(13)15-11/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-4-[(4-methoxyphenyl)methoxy]pyrimidine?
2-chloro-4-[(4-methoxyphenyl)methoxy]pyrimidine has a molecular weight of 250.69 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-methoxyphenyl)methoxy]pyrimidine is sourced from PubChem (CID 55065801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).