N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine

C12H12ClN5 — CID 121184363

IUPACN-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine
SMILESClc1cccnc1N1CC(Nc2ncccn2)C1
InChIInChI=1S/C12H12ClN5/c13-10-3-1-4-14-11(10)18-7-9(8-18)17-12-15-5-2-6-16-12/h1-6,9H,7-8H2,(H,15,16,17)
InChIKeyMHGPPOMHKZBNSB-UHFFFAOYSA-N
MW261.72 g/mol
LogP1.83
Rot. Bonds3

About N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine

N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine (PubChem CID 121184363) has the molecular formula C12H12ClN5 and a molecular weight of 261.72 g/mol. Its IUPAC name is N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine
PubChem CID121184363
Molecular FormulaC12H12ClN5
Molecular Weight261.72 g/mol
Exact Mass261.08
IUPAC NameN-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine
SMILESClc1cccnc1N1CC(Nc2ncccn2)C1
InChIInChI=1S/C12H12ClN5/c13-10-3-1-4-14-11(10)18-7-9(8-18)17-12-15-5-2-6-16-12/h1-6,9H,7-8H2,(H,15,16,17)
InChIKeyMHGPPOMHKZBNSB-UHFFFAOYSA-N
XLogP1.83
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine (CID 121184363) is N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine is Clc1cccnc1N1CC(Nc2ncccn2)C1.
What is the InChIKey of N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine?
The InChIKey is MHGPPOMHKZBNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5/c13-10-3-1-4-14-11(10)18-7-9(8-18)17-12-15-5-2-6-16-12/h1-6,9H,7-8H2,(H,15,16,17).
What are the key properties of N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine?
N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine has a molecular weight of 261.72 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 121184363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).