4-chloro-6-phenylmethoxypyrimidine

C11H9ClN2O — CID 22599871

IUPAC4-chloro-6-phenylmethoxypyrimidine
SMILESClc1cc(OCc2ccccc2)ncn1
InChIInChI=1S/C11H9ClN2O/c12-10-6-11(14-8-13-10)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKeyKXDXFVQZZGSEBU-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.71
Rot. Bonds3

About 4-chloro-6-phenylmethoxypyrimidine

4-chloro-6-phenylmethoxypyrimidine (PubChem CID 22599871) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-chloro-6-phenylmethoxypyrimidine.

Molecular Properties

Compound Name4-chloro-6-phenylmethoxypyrimidine
PubChem CID22599871
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name4-chloro-6-phenylmethoxypyrimidine
SMILESClc1cc(OCc2ccccc2)ncn1
InChIInChI=1S/C11H9ClN2O/c12-10-6-11(14-8-13-10)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKeyKXDXFVQZZGSEBU-UHFFFAOYSA-N
XLogP2.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine
CID 155548365
2,6-Diamino-4-(benzyloxy)pyrimidine
CID 10130617
4-N-methyl-6-phenylmethoxypyrimidine-2,4-diamine
CID 80858380
Pyrimidine, 4-chloro-6-(4-chlorophenoxy)-
CID 3079025
2-Amino-4-(p-ethylphenoxy)-6-chloropyrimidine
CID 815741
4-[2-(4-Fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine
CID 164673350
6-[2-(4-fluorophenyl)ethoxy]-N,N-dimethylpyrimidin-4-amine
CID 166628299
1-[6-[2-(4-Fluorophenyl)ethoxy]pyrimidin-4-yl]azepane
CID 166628525
4-[2-(4-Fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine
CID 166629336
4-Chloro-6-(4-propyl-phenoxy)-pyrimidin-2-ylamine
CID 702419
2,4-Bis(benzyloxy)pyrimidine
CID 10447380
4-Chloro-6-phenoxypyrimidine
CID 11593677

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-phenylmethoxypyrimidine?
The IUPAC name of 4-chloro-6-phenylmethoxypyrimidine (CID 22599871) is 4-chloro-6-phenylmethoxypyrimidine.
What is the SMILES notation for 4-chloro-6-phenylmethoxypyrimidine?
The canonical SMILES for 4-chloro-6-phenylmethoxypyrimidine is Clc1cc(OCc2ccccc2)ncn1.
What is the InChIKey of 4-chloro-6-phenylmethoxypyrimidine?
The InChIKey is KXDXFVQZZGSEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-10-6-11(14-8-13-10)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2.
What are the key properties of 4-chloro-6-phenylmethoxypyrimidine?
4-chloro-6-phenylmethoxypyrimidine has a molecular weight of 220.66 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-phenylmethoxypyrimidine is sourced from PubChem (CID 22599871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).