2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propylpyrimidine

C21H29N3O — CID 118723337

IUPAC2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propylpyrimidine
SMILESCCCc1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H29N3O/c1-2-10-19-17-20(23-21(22-19)18-11-5-3-6-12-18)25-16-9-15-24-13-7-4-8-14-24/h3,5-6,11-12,17H,2,4,7-10,13-16H2,1H3
InChIKeyANOCVSOKXOZZMJ-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.35
Rot. Bonds8

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

2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propylpyrimidine (PubChem CID 118723337) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propylpyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propylpyrimidine
PubChem CID118723337
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propylpyrimidine
SMILESCCCc1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H29N3O/c1-2-10-19-17-20(23-21(22-19)18-11-5-3-6-12-18)25-16-9-15-24-13-7-4-8-14-24/h3,5-6,11-12,17H,2,4,7-10,13-16H2,1H3
InChIKeyANOCVSOKXOZZMJ-UHFFFAOYSA-N
XLogP4.35
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.35
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
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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
(4,6-Dimethyl-pyrimidin-2-yl)-(4-methoxy-benzyl)-cyanamide
CID 3152233
4-(Piperidin-1-yl)-2-(4-propoxyphenyl)quinazoline
CID 1590578
4-((2-(Benzylamino)-6-methylpyrimidin-4-yl)oxy)benzonitrile
CID 1927680
2-(4-Methyl-6-phenoxypyrimidin-2-yl)phenol
CID 659561

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propylpyrimidine?
The IUPAC name of 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propylpyrimidine (CID 118723337) is 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propylpyrimidine.
What is the SMILES notation for 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propylpyrimidine?
The canonical SMILES for 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propylpyrimidine is CCCc1cc(OCCCN2CCCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propylpyrimidine?
The InChIKey is ANOCVSOKXOZZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-2-10-19-17-20(23-21(22-19)18-11-5-3-6-12-18)25-16-9-15-24-13-7-4-8-14-24/h3,5-6,11-12,17H,2,4,7-10,13-16H2,1H3.
What are the key properties of 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propylpyrimidine?
2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propylpyrimidine has a molecular weight of 339.48 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-piperidin-1-ylpropoxy)-6-propylpyrimidine is sourced from PubChem (CID 118723337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).