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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Related Compounds

Peldesine
CID 135413525
7-({[2-Hydroxy-1-(Hydroxymethyl)ethyl]amino}methyl)-3,5-Dihydro-4h-Pyrrolo[3,2-D]pyrimidin-4-One
CID 135723758
[5-(2-Amino-4-Oxo-4,5-Dihydro-3h-Pyrrolo[3,2-D]pyrimidin-7-Yl)-1,1-Difluoropentyl]phosphonic Acid
CID 135566455
7-{[3-(hydroxymethyl)azetidin-1-yl]methyl}-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135783311
(3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid
CID 136252807
2-((4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 135723753
7-{[(1,3-Dihydroxypropan-2-yl)(2-hydroxyethyl)amino]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135858782
Immucillins, 11
CID 136236266
7-[[1,3-Dihydroxypropan-2-yl(methyl)amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135723759
3-((4-Hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino)-propanol
CID 135858789
9-[6'',6''-Difluoro-6''-(diethylphosphono)hexyl]-9-deazaguanine
CID 136066048
9-[7'',7''-Difluoro-7''-(diethylphosphono)heptyl]-9-deazaguanine
CID 136066049

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).