4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine

C13H13ClN2O2 — CID 62483754

IUPAC4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine
SMILESCc1nc(Cl)cc(OCCOc2ccccc2)n1
InChIInChI=1S/C13H13ClN2O2/c1-10-15-12(14)9-13(16-10)18-8-7-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyFAZOLLATPIUORG-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.90
Rot. Bonds5

About 4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine

4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine (PubChem CID 62483754) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine
PubChem CID62483754
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine
SMILESCc1nc(Cl)cc(OCCOc2ccccc2)n1
InChIInChI=1S/C13H13ClN2O2/c1-10-15-12(14)9-13(16-10)18-8-7-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyFAZOLLATPIUORG-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine
CID 54278545
2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine
CID 21330009
2-chloro-6-(2-phenoxyethoxy)pyridine
CID 55212397
4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine
CID 62483949
N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine
CID 80859312
2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine
CID 114561970
4-chloro-2-methyl-6-prop-2-enoxypyrimidine
CID 62482106
2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine
CID 79168619
5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine
CID 114921193
4-chloro-2-methyl-6-naphthalen-1-yloxypyrimidine
CID 62482714
2-phenoxyethyl 2-chloroquinoline-4-carboxylate
CID 9009317
1,3-dimethyl-2-(2-phenoxyethoxy)benzene
CID 78906435

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine (CID 62483754) is 4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine is Cc1nc(Cl)cc(OCCOc2ccccc2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine?
The InChIKey is FAZOLLATPIUORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-10-15-12(14)9-13(16-10)18-8-7-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3.
What are the key properties of 4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine?
4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine has a molecular weight of 264.71 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine is sourced from PubChem (CID 62483754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).