2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine

C12H13N5 — CID 56887887

IUPAC2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine
SMILESNc1ccnc(N2CC(c3cccnc3)C2)n1
InChIInChI=1S/C12H13N5/c13-11-3-5-15-12(16-11)17-7-10(8-17)9-2-1-4-14-6-9/h1-6,10H,7-8H2,(H2,13,15,16)
InChIKeyKRPAFRODDCTBPN-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.06
Rot. Bonds2

About 2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine

2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine (PubChem CID 56887887) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine
PubChem CID56887887
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine
SMILESNc1ccnc(N2CC(c3cccnc3)C2)n1
InChIInChI=1S/C12H13N5/c13-11-3-5-15-12(16-11)17-7-10(8-17)9-2-1-4-14-6-9/h1-6,10H,7-8H2,(H2,13,15,16)
InChIKeyKRPAFRODDCTBPN-UHFFFAOYSA-N
XLogP1.06
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-pyridin-3-ylazetidin-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

1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 56897191
5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 56883380
2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine
CID 126980763
2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 72909986
2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 72933428
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
3-(1-propan-2-ylazetidin-3-yl)pyridine
CID 58547303
3-(1-methylsulfanylazetidin-3-yl)pyridine
CID 166936093
2-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrimidin-4-amine
CID 135116061
(3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95552295
(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

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine (CID 56887887) is 2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine is Nc1ccnc(N2CC(c3cccnc3)C2)n1.
What is the InChIKey of 2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine?
The InChIKey is KRPAFRODDCTBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-11-3-5-15-12(16-11)17-7-10(8-17)9-2-1-4-14-6-9/h1-6,10H,7-8H2,(H2,13,15,16).
What are the key properties of 2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine?
2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine has a molecular weight of 227.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 56887887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).