5-chloro-2-(4-methoxyphenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine

C20H26ClN3O2 — CID 118723361

IUPAC5-chloro-2-(4-methoxyphenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
SMILESCOc1ccc(-c2nc(C)c(Cl)c(OCCCN3CCCCC3)n2)cc1
InChIInChI=1S/C20H26ClN3O2/c1-15-18(21)20(26-14-6-13-24-11-4-3-5-12-24)23-19(22-15)16-7-9-17(25-2)10-8-16/h7-10H,3-6,11-14H2,1-2H3
InChIKeyFAEOHCOAHZFOEX-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.37
Rot. Bonds7

About 5-chloro-2-(4-methoxyphenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine

5-chloro-2-(4-methoxyphenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine (PubChem CID 118723361) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 5-chloro-2-(4-methoxyphenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(4-methoxyphenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
PubChem CID118723361
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name5-chloro-2-(4-methoxyphenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
SMILESCOc1ccc(-c2nc(C)c(Cl)c(OCCCN3CCCCC3)n2)cc1
InChIInChI=1S/C20H26ClN3O2/c1-15-18(21)20(26-14-6-13-24-11-4-3-5-12-24)23-19(22-15)16-7-9-17(25-2)10-8-16/h7-10H,3-6,11-14H2,1-2H3
InChIKeyFAEOHCOAHZFOEX-UHFFFAOYSA-N
XLogP4.37
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Enecadin
CID 6433114
4-(4-Fluorophenyl)-2-methyl-6-(5-piperidinopentyloxy)pyrimidine hydrochloride
CID 9800750
5-Chloro-2-(3,4-difluorophenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
CID 118723364
4-Methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
CID 21760780
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)oxy)phenyl)ethanol
CID 90112840
5-Chloro-2-(4-chlorophenyl)-4-methyl-6-(3-(piperidin-1-yl)propoxy)pyrimidine
CID 101910737
4-Methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine
CID 118722990
4-[3-(3,5-Dimethylpiperidin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine
CID 118722991
4-Methyl-2-phenyl-6-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propoxy]pyrimidine
CID 118722992
1-[3-(6-Methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-ol
CID 118722993
1-[3-(6-Methyl-2-phenylpyrimidin-4-yl)oxypropyl]piperidin-4-one
CID 118722994
4-Methyl-6-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylpyrimidine
CID 118722996

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methoxyphenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
The IUPAC name of 5-chloro-2-(4-methoxyphenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine (CID 118723361) is 5-chloro-2-(4-methoxyphenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine.
What is the SMILES notation for 5-chloro-2-(4-methoxyphenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
The canonical SMILES for 5-chloro-2-(4-methoxyphenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine is COc1ccc(-c2nc(C)c(Cl)c(OCCCN3CCCCC3)n2)cc1.
What is the InChIKey of 5-chloro-2-(4-methoxyphenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
The InChIKey is FAEOHCOAHZFOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-15-18(21)20(26-14-6-13-24-11-4-3-5-12-24)23-19(22-15)16-7-9-17(25-2)10-8-16/h7-10H,3-6,11-14H2,1-2H3.
What are the key properties of 5-chloro-2-(4-methoxyphenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
5-chloro-2-(4-methoxyphenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine has a molecular weight of 375.90 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methoxyphenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine is sourced from PubChem (CID 118723361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).