N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-5-fluoropyrimidin-2-amine

C19H25FN4O — CID 75513885

IUPACN-[3-(1-benzylpiperidin-4-yl)oxypropyl]-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NCCCOC2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C19H25FN4O/c20-17-13-22-19(23-14-17)21-9-4-12-25-18-7-10-24(11-8-18)15-16-5-2-1-3-6-16/h1-3,5-6,13-14,18H,4,7-12,15H2,(H,21,22,23)
InChIKeyJZLOHKWFVHWUNQ-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.10
Rot. Bonds8

About N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-5-fluoropyrimidin-2-amine

N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-5-fluoropyrimidin-2-amine (PubChem CID 75513885) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(1-benzylpiperidin-4-yl)oxypropyl]-5-fluoropyrimidin-2-amine
PubChem CID75513885
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC NameN-[3-(1-benzylpiperidin-4-yl)oxypropyl]-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NCCCOC2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C19H25FN4O/c20-17-13-22-19(23-14-17)21-9-4-12-25-18-7-10-24(11-8-18)15-16-5-2-1-3-6-16/h1-3,5-6,13-14,18H,4,7-12,15H2,(H,21,22,23)
InChIKeyJZLOHKWFVHWUNQ-UHFFFAOYSA-N
XLogP3.10
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-[[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine
CID 49857096
2,4-Pyrimidinediamine, N4-[[4-[[(2-chloro-5-fluoro-4-pyrimidinyl)amino]methyl]phenyl]methyl]-N2-[2-(4-morpholinyl)ethyl]-
CID 49857283
US9205085, Msx-197
CID 49857485
US9205085, Msx-222
CID 49857486
US9205085, Msx-193
CID 49857681
Pyrimidine, 2-((1-benzyl-4-piperidyl)amino)-
CID 3059129
N-benzyl-2-morpholinopyrimidin-4-amine
CID 46891015
4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112885084
(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)benzylamine
CID 660212
5-fluoro-N-[[4-[[(5-fluoro-2-methoxypyrimidin-4-yl)amino]methyl]phenyl]methyl]-2-methoxypyrimidin-4-amine
CID 49857684
2-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 764708
4-(4-Fluorophenyl)-5-(2-morpholinoethyl)-2-pyrimidinamine
CID 3578049

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-5-fluoropyrimidin-2-amine (CID 75513885) is N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-5-fluoropyrimidin-2-amine is Fc1cnc(NCCCOC2CCN(Cc3ccccc3)CC2)nc1.
What is the InChIKey of N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-5-fluoropyrimidin-2-amine?
The InChIKey is JZLOHKWFVHWUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c20-17-13-22-19(23-14-17)21-9-4-12-25-18-7-10-24(11-8-18)15-16-5-2-1-3-6-16/h1-3,5-6,13-14,18H,4,7-12,15H2,(H,21,22,23).
What are the key properties of N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-5-fluoropyrimidin-2-amine?
N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-5-fluoropyrimidin-2-amine has a molecular weight of 344.43 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 75513885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).