2-chloro-6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine

C20H26ClN5 — CID 156843335

IUPAC2-chloro-6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESC=CC1=C(/C=C\C)CCC1N1Cc2nc(Cl)nc(N3CCNCC3)c2C1
InChIInChI=1S/C20H26ClN5/c1-3-5-14-6-7-18(15(14)4-2)26-12-16-17(13-26)23-20(21)24-19(16)25-10-8-22-9-11-25/h3-5,18,22H,2,6-13H2,1H3/b5-3-
InChIKeyXCNWYQNRCFOKNE-HYXAFXHYSA-N
MW371.92 g/mol
LogP3.08
Rot. Bonds4

About 2-chloro-6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine

2-chloro-6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 156843335) has the molecular formula C20H26ClN5 and a molecular weight of 371.92 g/mol. Its IUPAC name is 2-chloro-6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID156843335
Molecular FormulaC20H26ClN5
Molecular Weight371.92 g/mol
Exact Mass371.19
IUPAC Name2-chloro-6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESC=CC1=C(/C=C\C)CCC1N1Cc2nc(Cl)nc(N3CCNCC3)c2C1
InChIInChI=1S/C20H26ClN5/c1-3-5-14-6-7-18(15(14)4-2)26-12-16-17(13-26)23-20(21)24-19(16)25-10-8-22-9-11-25/h3-5,18,22H,2,6-13H2,1H3/b5-3-
InChIKeyXCNWYQNRCFOKNE-HYXAFXHYSA-N
XLogP3.08
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.92
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-chloro-6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 156843335) is 2-chloro-6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-chloro-6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine is C=CC1=C(/C=C\C)CCC1N1Cc2nc(Cl)nc(N3CCNCC3)c2C1.
What is the InChIKey of 2-chloro-6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is XCNWYQNRCFOKNE-HYXAFXHYSA-N. The full InChI is InChI=1S/C20H26ClN5/c1-3-5-14-6-7-18(15(14)4-2)26-12-16-17(13-26)23-20(21)24-19(16)25-10-8-22-9-11-25/h3-5,18,22H,2,6-13H2,1H3/b5-3-.
What are the key properties of 2-chloro-6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
2-chloro-6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 371.92 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 156843335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).