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

C13H14N4O — CID 136941265

IUPAC2-(3,5-dimethyl-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1cnc(-c2nc3c(c(=O)[nH]2)CNC3)c(C)c1
InChIInChI=1S/C13H14N4O/c1-7-3-8(2)11(15-4-7)12-16-10-6-14-5-9(10)13(18)17-12/h3-4,14H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyWFYXPPKDXQGIHC-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.05
Rot. Bonds1

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

2-(3,5-dimethyl-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941265) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941265
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-(3,5-dimethyl-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1cnc(-c2nc3c(c(=O)[nH]2)CNC3)c(C)c1
InChIInChI=1S/C13H14N4O/c1-7-3-8(2)11(15-4-7)12-16-10-6-14-5-9(10)13(18)17-12/h3-4,14H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyWFYXPPKDXQGIHC-UHFFFAOYSA-N
XLogP1.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941265) is 2-(3,5-dimethyl-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3,5-dimethyl-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(3,5-dimethyl-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is Cc1cnc(-c2nc3c(c(=O)[nH]2)CNC3)c(C)c1.
What is the InChIKey of 2-(3,5-dimethyl-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is WFYXPPKDXQGIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-7-3-8(2)11(15-4-7)12-16-10-6-14-5-9(10)13(18)17-12/h3-4,14H,5-6H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(3,5-dimethyl-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(3,5-dimethyl-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 242.28 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-pyridinyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).