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

C9H13N3O — CID 3940913

IUPAC4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCC(C)c1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C9H13N3O/c1-5(2)7-6-3-4-10-8(6)12-9(13)11-7/h5H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyCLOUFVWHOQHHAW-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.86
Rot. Bonds1

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

4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 3940913) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID3940913
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCC(C)c1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C9H13N3O/c1-5(2)7-6-3-4-10-8(6)12-9(13)11-7/h5H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyCLOUFVWHOQHHAW-UHFFFAOYSA-N
XLogP0.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (CID 3940913) is 4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is CC(C)c1[nH]c(=O)nc2c1CCN2.
What is the InChIKey of 4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is CLOUFVWHOQHHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-5(2)7-6-3-4-10-8(6)12-9(13)11-7/h5H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 3940913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).