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

C6H7N3O — CID 91995475

IUPAC1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESO=C1NCc2cc[nH]c2N1
InChIInChI=1S/C6H7N3O/c10-6-8-3-4-1-2-7-5(4)9-6/h1-2,7H,3H2,(H2,8,9,10)
InChIKeyOZHQGADBXJPCIO-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.65
Rot. Bonds

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

1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 91995475) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID91995475
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESO=C1NCc2cc[nH]c2N1
InChIInChI=1S/C6H7N3O/c10-6-8-3-4-1-2-7-5(4)9-6/h1-2,7H,3H2,(H2,8,9,10)
InChIKeyOZHQGADBXJPCIO-UHFFFAOYSA-N
XLogP0.65
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (CID 91995475) is 1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is O=C1NCc2cc[nH]c2N1.
What is the InChIKey of 1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is OZHQGADBXJPCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c10-6-8-3-4-1-2-7-5(4)9-6/h1-2,7H,3H2,(H2,8,9,10).
What are the key properties of 1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 137.14 g/mol, XLogP of 0.65, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 91995475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).