4-chloro-6-(1-phenylethoxy)pyrimidine

C12H11ClN2O — CID 61279152

IUPAC4-chloro-6-(1-phenylethoxy)pyrimidine
SMILESCC(Oc1cc(Cl)ncn1)c1ccccc1
InChIInChI=1S/C12H11ClN2O/c1-9(10-5-3-2-4-6-10)16-12-7-11(13)14-8-15-12/h2-9H,1H3
InChIKeyNDVIYEQKCITPQS-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.27
Rot. Bonds3

About 4-chloro-6-(1-phenylethoxy)pyrimidine

4-chloro-6-(1-phenylethoxy)pyrimidine (PubChem CID 61279152) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-chloro-6-(1-phenylethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1-phenylethoxy)pyrimidine
PubChem CID61279152
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-chloro-6-(1-phenylethoxy)pyrimidine
SMILESCC(Oc1cc(Cl)ncn1)c1ccccc1
InChIInChI=1S/C12H11ClN2O/c1-9(10-5-3-2-4-6-10)16-12-7-11(13)14-8-15-12/h2-9H,1H3
InChIKeyNDVIYEQKCITPQS-UHFFFAOYSA-N
XLogP3.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine
CID 62483949
4-bromo-2-(1-phenylethoxy)pyridine
CID 170431674
4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine
CID 60726025
4-chloro-6-[(1S)-1-phenylpropyl]pyrimidine
CID 129496758
4-chloro-6-(1-phenylethoxy)pyrimidin-5-amine
CID 63022237
5-bromo-4-methyl-2-(1-phenylethoxy)pyridine
CID 114870646
[2-(1-phenylethoxy)-4-pyridinyl]methanol
CID 61256752
[2-(1-phenylethoxy)-4-pyridinyl]methanamine
CID 18071091
5-amino-2-(1-phenylethoxy)pyridine-4-carboxamide
CID 114090660
4-chloro-6-(1,2,2-trifluoroethoxy)pyrimidine
CID 175447675
3-chloro-5-(1-phenylethoxy)-1,2,4-triazine
CID 114999692
N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide
CID 114050017

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-phenylethoxy)pyrimidine?
The IUPAC name of 4-chloro-6-(1-phenylethoxy)pyrimidine (CID 61279152) is 4-chloro-6-(1-phenylethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-6-(1-phenylethoxy)pyrimidine?
The canonical SMILES for 4-chloro-6-(1-phenylethoxy)pyrimidine is CC(Oc1cc(Cl)ncn1)c1ccccc1.
What is the InChIKey of 4-chloro-6-(1-phenylethoxy)pyrimidine?
The InChIKey is NDVIYEQKCITPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-9(10-5-3-2-4-6-10)16-12-7-11(13)14-8-15-12/h2-9H,1H3.
What are the key properties of 4-chloro-6-(1-phenylethoxy)pyrimidine?
4-chloro-6-(1-phenylethoxy)pyrimidine has a molecular weight of 234.69 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-phenylethoxy)pyrimidine is sourced from PubChem (CID 61279152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).