4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine

C16H18ClN3O — CID 115914646

IUPAC4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine
SMILESCOC1CCN(c2cc(Cl)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H18ClN3O/c1-21-13-7-9-20(10-8-13)15-11-14(17)18-16(19-15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyVJLOSLMUUGMZPI-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.41
Rot. Bonds3

About 4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine

4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine (PubChem CID 115914646) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine
PubChem CID115914646
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine
SMILESCOC1CCN(c2cc(Cl)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H18ClN3O/c1-21-13-7-9-20(10-8-13)15-11-14(17)18-16(19-15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyVJLOSLMUUGMZPI-UHFFFAOYSA-N
XLogP3.41
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 2218329
6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
CID 103541732
[6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidin-4-yl]hydrazine
CID 103542065
2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114799174
6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 123494824
4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
CID 108773094
2-chloro-6-(4-methoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 83073102
4-chloro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 22309693
3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine
CID 43216589
4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536578
1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 71564077
[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 115914691

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine?
The IUPAC name of 4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine (CID 115914646) is 4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine is COC1CCN(c2cc(Cl)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine?
The InChIKey is VJLOSLMUUGMZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-21-13-7-9-20(10-8-13)15-11-14(17)18-16(19-15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3.
What are the key properties of 4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine?
4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine has a molecular weight of 303.79 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine is sourced from PubChem (CID 115914646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).