3-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one

C12H17N3O — CID 83888978

IUPAC3-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCC(C)c1nc2c(c(=O)n1C1CC1)CNC2
InChIInChI=1S/C12H17N3O/c1-7(2)11-14-10-6-13-5-9(10)12(16)15(11)8-3-4-8/h7-8,13H,3-6H2,1-2H3
InChIKeyYMEQQMQOWZEYSU-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.30
Rot. Bonds2

About 3-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one

3-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 83888978) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID83888978
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCC(C)c1nc2c(c(=O)n1C1CC1)CNC2
InChIInChI=1S/C12H17N3O/c1-7(2)11-14-10-6-13-5-9(10)12(16)15(11)8-3-4-8/h7-8,13H,3-6H2,1-2H3
InChIKeyYMEQQMQOWZEYSU-UHFFFAOYSA-N
XLogP1.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one (CID 83888978) is 3-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one is CC(C)c1nc2c(c(=O)n1C1CC1)CNC2.
What is the InChIKey of 3-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is YMEQQMQOWZEYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7(2)11-14-10-6-13-5-9(10)12(16)15(11)8-3-4-8/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 3-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one?
3-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 219.29 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 83888978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).