4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine

C15H15ClN2O — CID 114157430

IUPAC4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine
SMILESClc1cc(OCCC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H15ClN2O/c16-13-10-14(19-9-8-11-6-7-11)18-15(17-13)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
InChIKeyBEJDJJBCWYPJIQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.98
Rot. Bonds5

About 4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine

4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine (PubChem CID 114157430) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine
PubChem CID114157430
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine
SMILESClc1cc(OCCC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H15ClN2O/c16-13-10-14(19-9-8-11-6-7-11)18-15(17-13)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
InChIKeyBEJDJJBCWYPJIQ-UHFFFAOYSA-N
XLogP3.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine
CID 54278545
4-chloro-6-cycloheptyloxy-2-phenylpyrimidine
CID 115914559
4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine
CID 106201356
3-chloro-6-(2-cyclopropylethoxy)pyridazine
CID 58075185
N-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine
CID 106205442
2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine
CID 106201462
6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine
CID 115914744
6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
CID 112559616
2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile
CID 106201384
4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine
CID 62483754
6-(3,3-dimethylbutoxy)-2-phenylpyrimidin-4-amine
CID 115915949
2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine
CID 114157440

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine?
The IUPAC name of 4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine (CID 114157430) is 4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine is Clc1cc(OCCC2CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine?
The InChIKey is BEJDJJBCWYPJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-13-10-14(19-9-8-11-6-7-11)18-15(17-13)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2.
What are the key properties of 4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine?
4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine has a molecular weight of 274.75 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine is sourced from PubChem (CID 114157430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).