4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine

C14H15ClN2O — CID 43557608

IUPAC4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine
SMILESCOc1ccccc1-c1nc(Cl)cc(C(C)C)n1
InChIInChI=1S/C14H15ClN2O/c1-9(2)11-8-13(15)17-14(16-11)10-6-4-5-7-12(10)18-3/h4-9H,1-3H3
InChIKeyLQMVGBCGMKPUQH-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.93
Rot. Bonds3

About 4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine

4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine (PubChem CID 43557608) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine
PubChem CID43557608
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine
SMILESCOc1ccccc1-c1nc(Cl)cc(C(C)C)n1
InChIInChI=1S/C14H15ClN2O/c1-9(2)11-8-13(15)17-14(16-11)10-6-4-5-7-12(10)18-3/h4-9H,1-3H3
InChIKeyLQMVGBCGMKPUQH-UHFFFAOYSA-N
XLogP3.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(2-methoxyphenyl)-1,2,4-triazine
CID 116823799
4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine
CID 62744844
4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine
CID 43557756
4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine
CID 54977971
2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62202296
4,6-dichloro-2-(2-methoxyphenyl)quinazoline
CID 63084991
4-chloro-6-fluoro-2-(2-methoxyphenyl)quinazoline
CID 58683904
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine
CID 107502262
4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine
CID 62320318
2,6-dichloro-4-methoxy-3-propan-2-ylpyridine
CID 146431908
4-chloro-2-(2-methoxyphenyl)-1,3-thiazole
CID 83158767
3-chloro-5-(2-methoxyphenyl)-1,2-thiazole
CID 83911216

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine (CID 43557608) is 4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine is COc1ccccc1-c1nc(Cl)cc(C(C)C)n1.
What is the InChIKey of 4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine?
The InChIKey is LQMVGBCGMKPUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9(2)11-8-13(15)17-14(16-11)10-6-4-5-7-12(10)18-3/h4-9H,1-3H3.
What are the key properties of 4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine?
4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine has a molecular weight of 262.74 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 43557608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).