3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one

C9H11N3O — CID 67133301

IUPAC3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCCCn1cnc2cc[nH]c2c1=O
InChIInChI=1S/C9H11N3O/c1-2-5-12-6-11-7-3-4-10-8(7)9(12)13/h3-4,6,10H,2,5H2,1H3
InChIKeyAJUSSTKBXOHOIZ-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.13
Rot. Bonds2

About 3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one

3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 67133301) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID67133301
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCCCn1cnc2cc[nH]c2c1=O
InChIInChI=1S/C9H11N3O/c1-2-5-12-6-11-7-3-4-10-8(7)9(12)13/h3-4,6,10H,2,5H2,1H3
InChIKeyAJUSSTKBXOHOIZ-UHFFFAOYSA-N
XLogP1.13
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one (CID 67133301) is 3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one is CCCn1cnc2cc[nH]c2c1=O.
What is the InChIKey of 3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is AJUSSTKBXOHOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-2-5-12-6-11-7-3-4-10-8(7)9(12)13/h3-4,6,10H,2,5H2,1H3.
What are the key properties of 3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one?
3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 177.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 67133301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).