N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine

C16H19FN4 — CID 97151283

IUPACN-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine
SMILESFc1ccccc1[C@H](CNc1ccncn1)N1CCCC1
InChIInChI=1S/C16H19FN4/c17-14-6-2-1-5-13(14)15(21-9-3-4-10-21)11-19-16-7-8-18-12-20-16/h1-2,5-8,12,15H,3-4,9-11H2,(H,18,19,20)/t15-/m0/s1
InChIKeyZHYXYWIYOFMYQJ-HNNXBMFYSA-N
MW286.35 g/mol
LogP2.86
Rot. Bonds5

About N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine

N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine (PubChem CID 97151283) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine
PubChem CID97151283
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC NameN-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine
SMILESFc1ccccc1[C@H](CNc1ccncn1)N1CCCC1
InChIInChI=1S/C16H19FN4/c17-14-6-2-1-5-13(14)15(21-9-3-4-10-21)11-19-16-7-8-18-12-20-16/h1-2,5-8,12,15H,3-4,9-11H2,(H,18,19,20)/t15-/m0/s1
InChIKeyZHYXYWIYOFMYQJ-HNNXBMFYSA-N
XLogP2.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135093411
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 62994036
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 92581576
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176500547
2-ethyl-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 72935954
N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine
CID 82538556
4,4,4-trifluoro-N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 125170249
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91829882
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine
CID 61253596
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 122570918
N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102914055
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyridin-2-amine
CID 133481541

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine?
The IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine (CID 97151283) is N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine?
The canonical SMILES for N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine is Fc1ccccc1[C@H](CNc1ccncn1)N1CCCC1.
What is the InChIKey of N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine?
The InChIKey is ZHYXYWIYOFMYQJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19FN4/c17-14-6-2-1-5-13(14)15(21-9-3-4-10-21)11-19-16-7-8-18-12-20-16/h1-2,5-8,12,15H,3-4,9-11H2,(H,18,19,20)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine?
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine has a molecular weight of 286.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidin-4-amine is sourced from PubChem (CID 97151283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).