4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C9H11N3O — CID 122696588

IUPAC4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1ncnc2c1CC(=O)N2
InChIInChI=1S/C9H11N3O/c1-5(2)8-6-3-7(13)12-9(6)11-4-10-8/h4-5H,3H2,1-2H3,(H,10,11,12,13)
InChIKeyJBUNCZWJURMOFW-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.09
Rot. Bonds1

About 4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 122696588) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID122696588
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1ncnc2c1CC(=O)N2
InChIInChI=1S/C9H11N3O/c1-5(2)8-6-3-7(13)12-9(6)11-4-10-8/h4-5H,3H2,1-2H3,(H,10,11,12,13)
InChIKeyJBUNCZWJURMOFW-UHFFFAOYSA-N
XLogP1.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 122696588) is 4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ncnc2c1CC(=O)N2.
What is the InChIKey of 4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is JBUNCZWJURMOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5(2)8-6-3-7(13)12-9(6)11-4-10-8/h4-5H,3H2,1-2H3,(H,10,11,12,13).
What are the key properties of 4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 177.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 122696588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).