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

C24H33N5 — CID 156843234

IUPAC6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-2-methyl-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;prop-1-yne
SMILESC#CC.C=CC1=C(/C=C\C)CCC1N1Cc2nc(C)nc(N3CCNCC3)c2C1
InChIInChI=1S/C21H29N5.C3H4/c1-4-6-16-7-8-20(17(16)5-2)26-13-18-19(14-26)23-15(3)24-21(18)25-11-9-22-10-12-25;1-3-2/h4-6,20,22H,2,7-14H2,1,3H3;1H,2H3/b6-4-;
InChIKeyPYDNOHOHXIFYMH-YHSAGPEESA-N
MW391.56 g/mol
LogP3.37
Rot. Bonds4

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

6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-2-methyl-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;prop-1-yne (PubChem CID 156843234) has the molecular formula C24H33N5 and a molecular weight of 391.56 g/mol. Its IUPAC name is 6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-2-methyl-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;prop-1-yne.

Molecular Properties

Compound Name6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-2-methyl-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;prop-1-yne
PubChem CID156843234
Molecular FormulaC24H33N5
Molecular Weight391.56 g/mol
Exact Mass391.27
IUPAC Name6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-2-methyl-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;prop-1-yne
SMILESC#CC.C=CC1=C(/C=C\C)CCC1N1Cc2nc(C)nc(N3CCNCC3)c2C1
InChIInChI=1S/C21H29N5.C3H4/c1-4-6-16-7-8-20(17(16)5-2)26-13-18-19(14-26)23-15(3)24-21(18)25-11-9-22-10-12-25;1-3-2/h4-6,20,22H,2,7-14H2,1,3H3;1H,2H3/b6-4-;
InChIKeyPYDNOHOHXIFYMH-YHSAGPEESA-N
XLogP3.37
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-2-methyl-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;prop-1-yne with MolForge

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Related Compounds

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
2-chloro-6-(2,3-dihydro-1H-inden-1-yl)-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;prop-1-yne
CID 156843270
2-chloro-6-(2,3-dihydro-1H-inden-1-yl)-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane;2-methyl-1H-imidazole
CID 156843342
2-methyl-6-piperazin-1-yl-5-piperidin-4-ylpyrimidin-4-amine
CID 122625377
4-(azetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;ethane
CID 177061372
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667
2-methylsulfanyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117102036
[4-(azepan-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclohexylmethanone
CID 5260777
[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone
CID 134410704
7-(2-fluoro-3-methoxynaphthalen-1-yl)-2-methyl-4-piperazin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 142595610
tert-butyl 4-[(3S)-3-(cyanomethyl)piperazin-1-yl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 164925103
8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine
CID 143698493

Frequently Asked Questions

What is the IUPAC name of 6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-2-methyl-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;prop-1-yne?
The IUPAC name of 6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-2-methyl-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;prop-1-yne (CID 156843234) is 6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-2-methyl-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;prop-1-yne.
What is the SMILES notation for 6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-2-methyl-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;prop-1-yne?
The canonical SMILES for 6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-2-methyl-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;prop-1-yne is C#CC.C=CC1=C(/C=C\C)CCC1N1Cc2nc(C)nc(N3CCNCC3)c2C1.
What is the InChIKey of 6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-2-methyl-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;prop-1-yne?
The InChIKey is PYDNOHOHXIFYMH-YHSAGPEESA-N. The full InChI is InChI=1S/C21H29N5.C3H4/c1-4-6-16-7-8-20(17(16)5-2)26-13-18-19(14-26)23-15(3)24-21(18)25-11-9-22-10-12-25;1-3-2/h4-6,20,22H,2,7-14H2,1,3H3;1H,2H3/b6-4-;.
What are the key properties of 6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-2-methyl-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;prop-1-yne?
6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-2-methyl-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;prop-1-yne has a molecular weight of 391.56 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-ethenyl-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl]-2-methyl-4-piperazin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine;prop-1-yne is sourced from PubChem (CID 156843234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).