2-(1-methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

C12H17N3O2 — CID 136941297

IUPAC2-(1-methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOC1(c2nc3c(c(=O)[nH]2)CNC3)CCCC1
InChIInChI=1S/C12H17N3O2/c1-17-12(4-2-3-5-12)11-14-9-7-13-6-8(9)10(16)15-11/h13H,2-7H2,1H3,(H,14,15,16)
InChIKeyFGJOIEHCPUWMMF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.79
Rot. Bonds2

About 2-(1-methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

2-(1-methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941297) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941297
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(1-methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOC1(c2nc3c(c(=O)[nH]2)CNC3)CCCC1
InChIInChI=1S/C12H17N3O2/c1-17-12(4-2-3-5-12)11-14-9-7-13-6-8(9)10(16)15-11/h13H,2-7H2,1H3,(H,14,15,16)
InChIKeyFGJOIEHCPUWMMF-UHFFFAOYSA-N
XLogP0.79
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104612126
2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206201
2-(1-methoxycyclopentyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136773815
4-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 136773866
2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 136773868
2-(1-methoxycyclopentyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136773869
2-(1-methoxycyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136773870
4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 136773872
2-(1-methoxycyclopentyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136773873
2-(1-methoxycyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136773874
2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941032
2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941159

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941297) is 2-(1-methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is COC1(c2nc3c(c(=O)[nH]2)CNC3)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is FGJOIEHCPUWMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-12(4-2-3-5-12)11-14-9-7-13-6-8(9)10(16)15-11/h13H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 2-(1-methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(1-methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 235.29 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).