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

C12H10Cl2N2O — CID 62699009

IUPAC2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine
SMILESClCc1cc(Cl)ccc1OCc1ncccn1
InChIInChI=1S/C12H10Cl2N2O/c13-7-9-6-10(14)2-3-11(9)17-8-12-15-4-1-5-16-12/h1-6H,7-8H2
InChIKeyFRDFUAGGCGQQTI-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.45
Rot. Bonds4

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

2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine (PubChem CID 62699009) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine
PubChem CID62699009
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine
SMILESClCc1cc(Cl)ccc1OCc1ncccn1
InChIInChI=1S/C12H10Cl2N2O/c13-7-9-6-10(14)2-3-11(9)17-8-12-15-4-1-5-16-12/h1-6H,7-8H2
InChIKeyFRDFUAGGCGQQTI-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

1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 62699888
N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056881
4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 43141959
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
5-chloro-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699555
2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62697877
3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine
CID 114847144
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295
2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene
CID 43141982
8-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 114847000
2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 107700331
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine
CID 62700508

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine?
The IUPAC name of 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine (CID 62699009) is 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine.
What is the SMILES notation for 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine?
The canonical SMILES for 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine is ClCc1cc(Cl)ccc1OCc1ncccn1.
What is the InChIKey of 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine?
The InChIKey is FRDFUAGGCGQQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-7-9-6-10(14)2-3-11(9)17-8-12-15-4-1-5-16-12/h1-6H,7-8H2.
What are the key properties of 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine?
2-[[4-chloro-2-(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-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine is sourced from PubChem (CID 62699009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).