4-methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine

C20H27N3O — CID 118722990

IUPAC4-methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine
SMILESCc1cc(OCCCN2CCC(C)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H27N3O/c1-16-9-12-23(13-10-16)11-6-14-24-19-15-17(2)21-20(22-19)18-7-4-3-5-8-18/h3-5,7-8,15-16H,6,9-14H2,1-2H3
InChIKeyQPVMNTXKEPCQRH-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.95
Rot. Bonds6

About 4-methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine

4-methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine (PubChem CID 118722990) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine
PubChem CID118722990
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name4-methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine
SMILESCc1cc(OCCCN2CCC(C)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H27N3O/c1-16-9-12-23(13-10-16)11-6-14-24-19-15-17(2)21-20(22-19)18-7-4-3-5-8-18/h3-5,7-8,15-16H,6,9-14H2,1-2H3
InChIKeyQPVMNTXKEPCQRH-UHFFFAOYSA-N
XLogP3.95
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine?
The IUPAC name of 4-methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine (CID 118722990) is 4-methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine.
What is the SMILES notation for 4-methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine?
The canonical SMILES for 4-methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine is Cc1cc(OCCCN2CCC(C)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine?
The InChIKey is QPVMNTXKEPCQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-16-9-12-23(13-10-16)11-6-14-24-19-15-17(2)21-20(22-19)18-7-4-3-5-8-18/h3-5,7-8,15-16H,6,9-14H2,1-2H3.
What are the key properties of 4-methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine?
4-methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine has a molecular weight of 325.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[3-(4-methylpiperidin-1-yl)propoxy]-2-phenylpyrimidine is sourced from PubChem (CID 118722990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).