6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

C17H21N5 — CID 56701122

IUPAC6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCCc1ncc2c(n1)CN(c1nccc(C3CCCC3)n1)C2
InChIInChI=1S/C17H21N5/c1-2-16-19-9-13-10-22(11-15(13)20-16)17-18-8-7-14(21-17)12-5-3-4-6-12/h7-9,12H,2-6,10-11H2,1H3
InChIKeyKYEVUKXHOAOAST-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.01
Rot. Bonds3

About 6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 56701122) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID56701122
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCCc1ncc2c(n1)CN(c1nccc(C3CCCC3)n1)C2
InChIInChI=1S/C17H21N5/c1-2-16-19-9-13-10-22(11-15(13)20-16)17-18-8-7-14(21-17)12-5-3-4-6-12/h7-9,12H,2-6,10-11H2,1H3
InChIKeyKYEVUKXHOAOAST-UHFFFAOYSA-N
XLogP3.01
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 56701122) is 6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is CCc1ncc2c(n1)CN(c1nccc(C3CCCC3)n1)C2.
What is the InChIKey of 6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is KYEVUKXHOAOAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-2-16-19-9-13-10-22(11-15(13)20-16)17-18-8-7-14(21-17)12-5-3-4-6-12/h7-9,12H,2-6,10-11H2,1H3.
What are the key properties of 6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 295.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 56701122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).