2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine

C14H15FN4 — CID 146380893

IUPAC2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine
SMILESNc1cnc(N2CCC[C@H]2c2cccc(F)c2)nc1
InChIInChI=1S/C14H15FN4/c15-11-4-1-3-10(7-11)13-5-2-6-19(13)14-17-8-12(16)9-18-14/h1,3-4,7-9,13H,2,5-6,16H2/t13-/m0/s1
InChIKeyBNCDHHSDQNCQFM-ZDUSSCGKSA-N
MW258.30 g/mol
LogP2.54
Rot. Bonds2

About 2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine

2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine (PubChem CID 146380893) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine
PubChem CID146380893
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine
SMILESNc1cnc(N2CCC[C@H]2c2cccc(F)c2)nc1
InChIInChI=1S/C14H15FN4/c15-11-4-1-3-10(7-11)13-5-2-6-19(13)14-17-8-12(16)9-18-14/h1,3-4,7-9,13H,2,5-6,16H2/t13-/m0/s1
InChIKeyBNCDHHSDQNCQFM-ZDUSSCGKSA-N
XLogP2.54
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-3-amine
CID 146380890
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-3-amine
CID 146388088
2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid
CID 156774048
5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-carboxylic acid
CID 146380824
5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine
CID 67329531
5-(3-fluorophenyl)-4-(1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidin-2-amine
CID 110266907
3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 162486125
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 66684546
2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 119039301
2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine
CID 154749859
4-fluoro-2-(2-phenylpyrrolidin-1-yl)aniline
CID 62377463
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride
CID 86663106

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine?
The IUPAC name of 2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine (CID 146380893) is 2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine.
What is the SMILES notation for 2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine?
The canonical SMILES for 2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine is Nc1cnc(N2CCC[C@H]2c2cccc(F)c2)nc1.
What is the InChIKey of 2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine?
The InChIKey is BNCDHHSDQNCQFM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15FN4/c15-11-4-1-3-10(7-11)13-5-2-6-19(13)14-17-8-12(16)9-18-14/h1,3-4,7-9,13H,2,5-6,16H2/t13-/m0/s1.
What are the key properties of 2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine?
2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine has a molecular weight of 258.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine is sourced from PubChem (CID 146380893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).