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

C10H15N3O2 — CID 136941235

IUPAC2-(3-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOCCCc1nc2c(c(=O)[nH]1)CNC2
InChIInChI=1S/C10H15N3O2/c1-15-4-2-3-9-12-8-6-11-5-7(8)10(14)13-9/h11H,2-6H2,1H3,(H,12,13,14)
InChIKeyMRYHADNFPNFZER-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.05
Rot. Bonds4

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

2-(3-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941235) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941235
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(3-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCOCCCc1nc2c(c(=O)[nH]1)CNC2
InChIInChI=1S/C10H15N3O2/c1-15-4-2-3-9-12-8-6-11-5-7(8)10(14)13-9/h11H,2-6H2,1H3,(H,12,13,14)
InChIKeyMRYHADNFPNFZER-UHFFFAOYSA-N
XLogP-0.05
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-one hydrochloride
CID 136666284
2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol
CID 136108511
2-Cyclopropyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 136108516
2-[2-(2,2-Difluoroethoxy)ethyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136842552
2-(3,3,3-Trifluoropropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941293
2-[2-(2,2,2-Trifluoroethoxy)ethyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 137012999
2-Isopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-ol
CID 136108517
3-methyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
CID 83878475
2-Ethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 136108512
2-(tert-Butyl)-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 136108513
2-Propyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 136108518
2-Methyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one dihydrochloride dihydrate
CID 136237222

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(3-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941235) is 2-(3-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is COCCCc1nc2c(c(=O)[nH]1)CNC2.
What is the InChIKey of 2-(3-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is MRYHADNFPNFZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-15-4-2-3-9-12-8-6-11-5-7(8)10(14)13-9/h11H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 2-(3-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(3-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 209.25 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).