4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine

C12H19N5O — CID 66195619

IUPAC4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
SMILESCOc1ccnc(N2CC(N3CCNCC3)C2)n1
InChIInChI=1S/C12H19N5O/c1-18-11-2-3-14-12(15-11)17-8-10(9-17)16-6-4-13-5-7-16/h2-3,10,13H,4-9H2,1H3
InChIKeyJASAARSORAVFFN-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.42
Rot. Bonds3

About 4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine

4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine (PubChem CID 66195619) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
PubChem CID66195619
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
SMILESCOc1ccnc(N2CC(N3CCNCC3)C2)n1
InChIInChI=1S/C12H19N5O/c1-18-11-2-3-14-12(15-11)17-8-10(9-17)16-6-4-13-5-7-16/h2-3,10,13H,4-9H2,1H3
InChIKeyJASAARSORAVFFN-UHFFFAOYSA-N
XLogP-0.42
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine?
The IUPAC name of 4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine (CID 66195619) is 4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine.
What is the SMILES notation for 4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine?
The canonical SMILES for 4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine is COc1ccnc(N2CC(N3CCNCC3)C2)n1.
What is the InChIKey of 4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine?
The InChIKey is JASAARSORAVFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-18-11-2-3-14-12(15-11)17-8-10(9-17)16-6-4-13-5-7-16/h2-3,10,13H,4-9H2,1H3.
What are the key properties of 4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine?
4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine has a molecular weight of 249.32 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine is sourced from PubChem (CID 66195619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).