N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine

C20H27FN4 — CID 95455929

IUPACN-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCCNc1ncc(CN2CCC[C@@H](CCc3ccccc3F)C2)cn1
InChIInChI=1S/C20H27FN4/c1-2-22-20-23-12-17(13-24-20)15-25-11-5-6-16(14-25)9-10-18-7-3-4-8-19(18)21/h3-4,7-8,12-13,16H,2,5-6,9-11,14-15H2,1H3,(H,22,23,24)/t16-/m0/s1
InChIKeyLEOTWUYLBGQMGF-INIZCTEOSA-N
MW342.46 g/mol
LogP3.89
Rot. Bonds7

About N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine

N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 95455929) has the molecular formula C20H27FN4 and a molecular weight of 342.46 g/mol. Its IUPAC name is N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine
PubChem CID95455929
Molecular FormulaC20H27FN4
Molecular Weight342.46 g/mol
Exact Mass342.22
IUPAC NameN-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCCNc1ncc(CN2CCC[C@@H](CCc3ccccc3F)C2)cn1
InChIInChI=1S/C20H27FN4/c1-2-22-20-23-12-17(13-24-20)15-25-11-5-6-16(14-25)9-10-18-7-3-4-8-19(18)21/h3-4,7-8,12-13,16H,2,5-6,9-11,14-15H2,1H3,(H,22,23,24)/t16-/m0/s1
InChIKeyLEOTWUYLBGQMGF-INIZCTEOSA-N
XLogP3.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 95553794
5-[[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine
CID 95562692
5-[[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine
CID 95556773
2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide
CID 95716393
2-[2-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]pyridine
CID 56906648
N-tert-butyl-2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]acetamide
CID 95716250
5-[[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide
CID 95712924
N-ethyl-5-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99961247
3-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]propanoic acid
CID 95722232
N-ethyl-5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrimidin-2-amine
CID 56901818
N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide
CID 45194818
3-[2-(2,4-difluorophenyl)ethyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine
CID 45195941

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine (CID 95455929) is N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine is CCNc1ncc(CN2CCC[C@@H](CCc3ccccc3F)C2)cn1.
What is the InChIKey of N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is LEOTWUYLBGQMGF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27FN4/c1-2-22-20-23-12-17(13-24-20)15-25-11-5-6-16(14-25)9-10-18-7-3-4-8-19(18)21/h3-4,7-8,12-13,16H,2,5-6,9-11,14-15H2,1H3,(H,22,23,24)/t16-/m0/s1.
What are the key properties of N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 342.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 95455929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).