4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one

C7H7N3O2 — CID 4157532

IUPAC4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCOc1nc(=O)[nH]c2[nH]ccc12
InChIInChI=1S/C7H7N3O2/c1-12-6-4-2-3-8-5(4)9-7(11)10-6/h2-3H,1H3,(H2,8,9,10,11)
InChIKeyOCRZHKBWVATKJW-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.26
Rot. Bonds1

About 4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one

4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 4157532) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID4157532
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCOc1nc(=O)[nH]c2[nH]ccc12
InChIInChI=1S/C7H7N3O2/c1-12-6-4-2-3-8-5(4)9-7(11)10-6/h2-3H,1H3,(H2,8,9,10,11)
InChIKeyOCRZHKBWVATKJW-UHFFFAOYSA-N
XLogP0.26
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one (CID 4157532) is 4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one is COc1nc(=O)[nH]c2[nH]ccc12.
What is the InChIKey of 4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is OCRZHKBWVATKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-12-6-4-2-3-8-5(4)9-7(11)10-6/h2-3H,1H3,(H2,8,9,10,11).
What are the key properties of 4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one?
4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 165.15 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 4157532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).