4-chloro-2-(2-phenylmethoxyethyl)pyrimidine

C13H13ClN2O — CID 130968906

IUPAC4-chloro-2-(2-phenylmethoxyethyl)pyrimidine
SMILESClc1ccnc(CCOCc2ccccc2)n1
InChIInChI=1S/C13H13ClN2O/c14-12-6-8-15-13(16-12)7-9-17-10-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2
InChIKeyRWOQBNZPGKONQM-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.89
Rot. Bonds5

About 4-chloro-2-(2-phenylmethoxyethyl)pyrimidine

4-chloro-2-(2-phenylmethoxyethyl)pyrimidine (PubChem CID 130968906) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-chloro-2-(2-phenylmethoxyethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-phenylmethoxyethyl)pyrimidine
PubChem CID130968906
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-chloro-2-(2-phenylmethoxyethyl)pyrimidine
SMILESClc1ccnc(CCOCc2ccccc2)n1
InChIInChI=1S/C13H13ClN2O/c14-12-6-8-15-13(16-12)7-9-17-10-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2
InChIKeyRWOQBNZPGKONQM-UHFFFAOYSA-N
XLogP2.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(phenylmethoxymethyl)pyrimidine
CID 105495442
2-chloro-4-(2-phenylethoxymethyl)pyridine
CID 114999592
2-(2-phenylmethoxyethyl)-1,3-thiazole
CID 131048926
2-chloro-7-phenylmethoxy-1,8-naphthyridine
CID 21073265
[2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine
CID 131115318
2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine
CID 139880669
4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
2-chloro-4-(2-pyridin-2-ylethoxymethyl)pyridine
CID 62471234
2-iodoethoxymethylbenzene
CID 10355314
4-(4-chloropyrimidin-2-yl)butan-1-amine
CID 157220719
1-(2-phenylmethoxyethyl)naphthalene
CID 71507589
ethane;2-phenylmethoxyethanamine
CID 142016503

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-phenylmethoxyethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(2-phenylmethoxyethyl)pyrimidine (CID 130968906) is 4-chloro-2-(2-phenylmethoxyethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(2-phenylmethoxyethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(2-phenylmethoxyethyl)pyrimidine is Clc1ccnc(CCOCc2ccccc2)n1.
What is the InChIKey of 4-chloro-2-(2-phenylmethoxyethyl)pyrimidine?
The InChIKey is RWOQBNZPGKONQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-12-6-8-15-13(16-12)7-9-17-10-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2.
What are the key properties of 4-chloro-2-(2-phenylmethoxyethyl)pyrimidine?
4-chloro-2-(2-phenylmethoxyethyl)pyrimidine has a molecular weight of 248.71 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-phenylmethoxyethyl)pyrimidine is sourced from PubChem (CID 130968906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).