2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine

C13H13ClN2O2 — CID 62700508

IUPAC2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine
SMILESCOc1ccc(CCl)c(OCc2ncccn2)c1
InChIInChI=1S/C13H13ClN2O2/c1-17-11-4-3-10(8-14)12(7-11)18-9-13-15-5-2-6-16-13/h2-7H,8-9H2,1H3
InChIKeyNPEVRIKSRKGDQU-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.80
Rot. Bonds5

About 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine

2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine (PubChem CID 62700508) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine
PubChem CID62700508
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine
SMILESCOc1ccc(CCl)c(OCc2ncccn2)c1
InChIInChI=1S/C13H13ClN2O2/c1-17-11-4-3-10(8-14)12(7-11)18-9-13-15-5-2-6-16-13/h2-7H,8-9H2,1H3
InChIKeyNPEVRIKSRKGDQU-UHFFFAOYSA-N
XLogP2.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 61270022
[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62697998
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82885946
1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene
CID 65477833
(1S)-1-[4-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 82001017
1-(chloromethyl)-4-methoxy-2-(2-methylpropoxy)benzene
CID 61268907
1-(chloromethyl)-2-decoxy-4-methoxybenzene
CID 63534859
1-(chloromethyl)-4-methoxy-2-[(3-nitrophenyl)methoxy]benzene
CID 61269650
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62699009
1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene
CID 54958015
2-(chloromethyl)-1-[(2-chlorophenyl)methoxy]-4-methoxybenzene
CID 43268073
1-(chloromethyl)-4-methoxy-2-(4-methylphenoxy)benzene
CID 22767846

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine?
The IUPAC name of 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine (CID 62700508) is 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine.
What is the SMILES notation for 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine?
The canonical SMILES for 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine is COc1ccc(CCl)c(OCc2ncccn2)c1.
What is the InChIKey of 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine?
The InChIKey is NPEVRIKSRKGDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-17-11-4-3-10(8-14)12(7-11)18-9-13-15-5-2-6-16-13/h2-7H,8-9H2,1H3.
What are the key properties of 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine?
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine has a molecular weight of 264.71 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine is sourced from PubChem (CID 62700508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).