4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine

C16H19ClN2O — CID 116745666

IUPAC4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine
SMILESCCC(CC)(OC)c1nc(Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C16H19ClN2O/c1-4-16(5-2,20-3)15-18-13(11-14(17)19-15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
InChIKeyMICLJVSXBIIREA-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.46
Rot. Bonds5

About 4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine

4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine (PubChem CID 116745666) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine
PubChem CID116745666
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine
SMILESCCC(CC)(OC)c1nc(Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C16H19ClN2O/c1-4-16(5-2,20-3)15-18-13(11-14(17)19-15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
InChIKeyMICLJVSXBIIREA-UHFFFAOYSA-N
XLogP4.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-6-phenylpyrimidine;ethane
CID 143206221
1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79078383
4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine
CID 116745694
4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine
CID 116745855
4-chloro-2-(1-methoxy-2-methylpropyl)-6-phenylpyrimidine
CID 116706116
2-tert-butyl-4,6-diphenylpyrimidine
CID 90180530
4-chloro-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 146868776
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine
CID 115915027
4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine
CID 61385533
4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine
CID 65422322

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine?
The IUPAC name of 4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine (CID 116745666) is 4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine?
The canonical SMILES for 4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine is CCC(CC)(OC)c1nc(Cl)cc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine?
The InChIKey is MICLJVSXBIIREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-4-16(5-2,20-3)15-18-13(11-14(17)19-15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3.
What are the key properties of 4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine?
4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine has a molecular weight of 290.79 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methoxypentan-3-yl)-6-phenylpyrimidine is sourced from PubChem (CID 116745666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).