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

C10H15N3O2 — CID 136941368

IUPAC2-(1-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCCC(OC)c1nc2c(c(=O)[nH]1)CNC2
InChIInChI=1S/C10H15N3O2/c1-3-8(15-2)9-12-7-5-11-4-6(7)10(14)13-9/h8,11H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyUNYXCINAKSACKH-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.47
Rot. Bonds3

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

2-(1-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941368) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(1-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941368
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(1-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCCC(OC)c1nc2c(c(=O)[nH]1)CNC2
InChIInChI=1S/C10H15N3O2/c1-3-8(15-2)9-12-7-5-11-4-6(7)10(14)13-9/h8,11H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyUNYXCINAKSACKH-UHFFFAOYSA-N
XLogP0.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2S)-2-methoxybutanoyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 137108613
2-(2,2,2-Trifluoroethoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136890510
2-(2,2,3,3-Tetrafluoropropoxymethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136890511
2-Ethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 136108512
2-Propyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 136108518
2-(1-methoxyethyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136283807
5-(aminomethyl)-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one
CID 136308235
5-(aminomethyl)-4-methyl-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136314598
2-(2-Ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136745822
2-[2-(2-Methoxyethoxy)ethyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136780949
N-(2-methoxyethyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136911216
2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941055

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941368) is 2-(1-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is CCC(OC)c1nc2c(c(=O)[nH]1)CNC2.
What is the InChIKey of 2-(1-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is UNYXCINAKSACKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-8(15-2)9-12-7-5-11-4-6(7)10(14)13-9/h8,11H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(1-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(1-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 209.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).