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

C13H21N5O — CID 112638748

IUPAC4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
SMILESCCOc1ccnc(N2CC(N3CCNCC3)C2)n1
InChIInChI=1S/C13H21N5O/c1-2-19-12-3-4-15-13(16-12)18-9-11(10-18)17-7-5-14-6-8-17/h3-4,11,14H,2,5-10H2,1H3
InChIKeyANFGMCKUPMQAIU-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.03
Rot. Bonds4

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

4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine (PubChem CID 112638748) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
PubChem CID112638748
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
SMILESCCOc1ccnc(N2CC(N3CCNCC3)C2)n1
InChIInChI=1S/C13H21N5O/c1-2-19-12-3-4-15-13(16-12)18-9-11(10-18)17-7-5-14-6-8-17/h3-4,11,14H,2,5-10H2,1H3
InChIKeyANFGMCKUPMQAIU-UHFFFAOYSA-N
XLogP-0.03
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine?
The IUPAC name of 4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine (CID 112638748) is 4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine.
What is the SMILES notation for 4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine?
The canonical SMILES for 4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine is CCOc1ccnc(N2CC(N3CCNCC3)C2)n1.
What is the InChIKey of 4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine?
The InChIKey is ANFGMCKUPMQAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-19-12-3-4-15-13(16-12)18-9-11(10-18)17-7-5-14-6-8-17/h3-4,11,14H,2,5-10H2,1H3.
What are the key properties of 4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine?
4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine has a molecular weight of 263.34 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine is sourced from PubChem (CID 112638748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).