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

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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).