2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine

C14H15FN4 — CID 72909986

IUPAC2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CCC(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C14H15FN4/c15-12-3-1-10(2-4-12)11-6-8-19(9-11)14-17-7-5-13(16)18-14/h1-5,7,11H,6,8-9H2,(H2,16,17,18)
InChIKeyBIZCAIXCZCWMCH-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.19
Rot. Bonds2

About 2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine

2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 72909986) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID72909986
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CCC(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C14H15FN4/c15-12-3-1-10(2-4-12)11-6-8-19(9-11)14-17-7-5-13(16)18-14/h1-5,7,11H,6,8-9H2,(H2,16,17,18)
InChIKeyBIZCAIXCZCWMCH-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-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

2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 156550348
(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 165390561
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol
CID 156538124
[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-4-pyridinyl]methanol
CID 131945950
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine
CID 56887887
CID 166546943
CID 166546943
methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate
CID 116797068
2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078995
(4R)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
CID 129271149
(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
CID 90176650

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 72909986) is 2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine is Nc1ccnc(N2CCC(c3ccc(F)cc3)C2)n1.
What is the InChIKey of 2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is BIZCAIXCZCWMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c15-12-3-1-10(2-4-12)11-6-8-19(9-11)14-17-7-5-13(16)18-14/h1-5,7,11H,6,8-9H2,(H2,16,17,18).
What are the key properties of 2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine?
2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 258.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 72909986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).