4-ethyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine

C20H27N3O — CID 118723336

IUPAC4-ethyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
SMILESCCc1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H27N3O/c1-2-18-16-19(22-20(21-18)17-10-5-3-6-11-17)24-15-9-14-23-12-7-4-8-13-23/h3,5-6,10-11,16H,2,4,7-9,12-15H2,1H3
InChIKeyCLTSAFWZEAQDMM-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.96
Rot. Bonds7

About 4-ethyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine

4-ethyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine (PubChem CID 118723336) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-ethyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
PubChem CID118723336
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name4-ethyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
SMILESCCc1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H27N3O/c1-2-18-16-19(22-20(21-18)17-10-5-3-6-11-17)24-15-9-14-23-12-7-4-8-13-23/h3,5-6,10-11,16H,2,4,7-9,12-15H2,1H3
InChIKeyCLTSAFWZEAQDMM-UHFFFAOYSA-N
XLogP3.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.96
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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Related Compounds

Enecadin
CID 6433114
4-(4-Fluorophenyl)-2-methyl-6-(5-piperidinopentyloxy)pyrimidine hydrochloride
CID 9800750
4-[4-(2-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 2989573
5-Chloro-2-(3,4-difluorophenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
CID 118723364
Quinazoline, 2-(4-methyl-1-piperazinyl)-4-phenoxy-
CID 217674
Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(phenylmethoxy)-
CID 3076002
2,4-Diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
CID 118723352
6-(methoxymethyl)-2-phenyl-4-pyrimidinyl N,N-dimethylcarbamate
CID 2730251
4-(Piperidin-1-yl)-2-(4-propoxyphenyl)quinazoline
CID 1590578
2-(4-Methyl-6-phenoxypyrimidin-2-yl)phenol
CID 659561
(16E)-14-methyl-20-oxa-5,7,14,22,27-pentazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
CID 16739948
4-Methyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
CID 21760780

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
The IUPAC name of 4-ethyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine (CID 118723336) is 4-ethyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine.
What is the SMILES notation for 4-ethyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
The canonical SMILES for 4-ethyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine is CCc1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-ethyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
The InChIKey is CLTSAFWZEAQDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-18-16-19(22-20(21-18)17-10-5-3-6-11-17)24-15-9-14-23-12-7-4-8-13-23/h3,5-6,10-11,16H,2,4,7-9,12-15H2,1H3.
What are the key properties of 4-ethyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
4-ethyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine has a molecular weight of 325.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-phenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine is sourced from PubChem (CID 118723336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).