2-chloro-5-methyl-4-phenoxypyrimidine

C11H9ClN2O — CID 59868882

IUPAC2-chloro-5-methyl-4-phenoxypyrimidine
SMILESCc1cnc(Cl)nc1Oc1ccccc1
InChIInChI=1S/C11H9ClN2O/c1-8-7-13-11(12)14-10(8)15-9-5-3-2-4-6-9/h2-7H,1H3
InChIKeySIUCVRFPIBGHGC-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.23
Rot. Bonds2

About 2-chloro-5-methyl-4-phenoxypyrimidine

2-chloro-5-methyl-4-phenoxypyrimidine (PubChem CID 59868882) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-phenoxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-phenoxypyrimidine
PubChem CID59868882
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name2-chloro-5-methyl-4-phenoxypyrimidine
SMILESCc1cnc(Cl)nc1Oc1ccccc1
InChIInChI=1S/C11H9ClN2O/c1-8-7-13-11(12)14-10(8)15-9-5-3-2-4-6-9/h2-7H,1H3
InChIKeySIUCVRFPIBGHGC-UHFFFAOYSA-N
XLogP3.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Pyrimidin-2-yloxy)benzonitrile
CID 901072
2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile
CID 2764393
5-[(4-Butoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 623352
4-(2-Chlorophenoxy)-2-(methylsulfanyl)pyrimidine
CID 901073
Pyrimidine, 4-chloro-6-(4-chlorophenoxy)-
CID 3079025
4-(4-Methylpyrazol-1-yl)-6-phenoxypyrimidine
CID 661295
5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine
CID 789778
N,N-diethyl-6-phenoxypyrimidin-4-amine
CID 2055860
2-(4-Butoxyphenyl)-5-chloropyrimidine
CID 2252177
5-(4-Propoxy-benzyl)-pyrimidine-2,4-diamine
CID 3132813
4-Methoxy-2-phenoxypyrimidine
CID 824706
2-Chloro-4-fluorophenyl 2-chloro-4-pyrimidinyl ether
CID 1811330

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-phenoxypyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-phenoxypyrimidine (CID 59868882) is 2-chloro-5-methyl-4-phenoxypyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-phenoxypyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-phenoxypyrimidine is Cc1cnc(Cl)nc1Oc1ccccc1.
What is the InChIKey of 2-chloro-5-methyl-4-phenoxypyrimidine?
The InChIKey is SIUCVRFPIBGHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-8-7-13-11(12)14-10(8)15-9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 2-chloro-5-methyl-4-phenoxypyrimidine?
2-chloro-5-methyl-4-phenoxypyrimidine has a molecular weight of 220.66 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-phenoxypyrimidine is sourced from PubChem (CID 59868882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).