7-(cyclopentylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C12H15N3O — CID 135535894

IUPAC7-(cyclopentylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(CC3CCCC3)c[nH]c12
InChIInChI=1S/C12H15N3O/c16-12-11-10(14-7-15-12)9(6-13-11)5-8-3-1-2-4-8/h6-8,13H,1-5H2,(H,14,15,16)
InChIKeyLUYOAOZVQYOVFL-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.98
Rot. Bonds2

About 7-(cyclopentylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-(cyclopentylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135535894) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 7-(cyclopentylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(cyclopentylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135535894
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name7-(cyclopentylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(CC3CCCC3)c[nH]c12
InChIInChI=1S/C12H15N3O/c16-12-11-10(14-7-15-12)9(6-13-11)5-8-3-1-2-4-8/h6-8,13H,1-5H2,(H,14,15,16)
InChIKeyLUYOAOZVQYOVFL-UHFFFAOYSA-N
XLogP1.98
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopentylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(cyclopentylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135535894) is 7-(cyclopentylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(cyclopentylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(cyclopentylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c(CC3CCCC3)c[nH]c12.
What is the InChIKey of 7-(cyclopentylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is LUYOAOZVQYOVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12-11-10(14-7-15-12)9(6-13-11)5-8-3-1-2-4-8/h6-8,13H,1-5H2,(H,14,15,16).
What are the key properties of 7-(cyclopentylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-(cyclopentylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 217.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopentylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135535894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).