2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine

C12H10Cl2N2O — CID 62697877

IUPAC2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine
SMILESClCc1ccc(OCc2ncccn2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c13-7-9-2-3-11(10(14)6-9)17-8-12-15-4-1-5-16-12/h1-6H,7-8H2
InChIKeyKDUXDNAEDWJYQU-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.45
Rot. Bonds4

About 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine

2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine (PubChem CID 62697877) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine
PubChem CID62697877
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine
SMILESClCc1ccc(OCc2ncccn2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c13-7-9-2-3-11(10(14)6-9)17-8-12-15-4-1-5-16-12/h1-6H,7-8H2
InChIKeyKDUXDNAEDWJYQU-UHFFFAOYSA-N
XLogP3.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63535207
2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine
CID 170747061
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62699009
2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 63536063
7-[2-chloro-4-(chloromethyl)phenoxy]quinoline
CID 107314157
5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine
CID 113454507
2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine
CID 146440815
4-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62126933
[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 61389098
4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine
CID 82169647
1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene
CID 29009783
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine?
The IUPAC name of 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine (CID 62697877) is 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine.
What is the SMILES notation for 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine?
The canonical SMILES for 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine is ClCc1ccc(OCc2ncccn2)c(Cl)c1.
What is the InChIKey of 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine?
The InChIKey is KDUXDNAEDWJYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-7-9-2-3-11(10(14)6-9)17-8-12-15-4-1-5-16-12/h1-6H,7-8H2.
What are the key properties of 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine?
2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine has a molecular weight of 269.13 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine is sourced from PubChem (CID 62697877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).