N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine

C21H22FN5 — CID 72875943

IUPACN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESFc1ccc(C(CNc2nccc(-c3ccccn3)n2)N2CCCC2)cc1
InChIInChI=1S/C21H22FN5/c22-17-8-6-16(7-9-17)20(27-13-3-4-14-27)15-25-21-24-12-10-19(26-21)18-5-1-2-11-23-18/h1-2,5-12,20H,3-4,13-15H2,(H,24,25,26)
InChIKeyMWMMYRSEGDPRSH-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.93
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine (PubChem CID 72875943) has the molecular formula C21H22FN5 and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine
PubChem CID72875943
Molecular FormulaC21H22FN5
Molecular Weight363.44 g/mol
Exact Mass363.19
IUPAC NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESFc1ccc(C(CNc2nccc(-c3ccccn3)n2)N2CCCC2)cc1
InChIInChI=1S/C21H22FN5/c22-17-8-6-16(7-9-17)20(27-13-3-4-14-27)15-25-21-24-12-10-19(26-21)18-5-1-2-11-23-18/h1-2,5-12,20H,3-4,13-15H2,(H,24,25,26)
InChIKeyMWMMYRSEGDPRSH-UHFFFAOYSA-N
XLogP3.93
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 97444515
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine
CID 92612455
2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 22692501
4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine
CID 72913524
N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 97208706
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine
CID 110452430
N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 97443802
N-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine
CID 110452326
N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine
CID 82538556
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 24619664
2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133382457
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine (CID 72875943) is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine is Fc1ccc(C(CNc2nccc(-c3ccccn3)n2)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is MWMMYRSEGDPRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5/c22-17-8-6-16(7-9-17)20(27-13-3-4-14-27)15-25-21-24-12-10-19(26-21)18-5-1-2-11-23-18/h1-2,5-12,20H,3-4,13-15H2,(H,24,25,26).
What are the key properties of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine?
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 363.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 72875943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).