[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-propan-2-ylpyrrolidin-3-yl)methanone

C18H28N4O — CID 56742315

IUPAC[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)C1CCN(C(C)C)C1)C2
InChIInChI=1S/C18H28N4O/c1-12(2)7-17-19-8-15-10-22(11-16(15)20-17)18(23)14-5-6-21(9-14)13(3)4/h8,12-14H,5-7,9-11H2,1-4H3
InChIKeyMTJYDBZTDMFKNZ-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.25
Rot. Bonds4

About [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-propan-2-ylpyrrolidin-3-yl)methanone

[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 56742315) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID56742315
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)C1CCN(C(C)C)C1)C2
InChIInChI=1S/C18H28N4O/c1-12(2)7-17-19-8-15-10-22(11-16(15)20-17)18(23)14-5-6-21(9-14)13(3)4/h8,12-14H,5-7,9-11H2,1-4H3
InChIKeyMTJYDBZTDMFKNZ-UHFFFAOYSA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-propan-2-ylpyrrolidin-3-yl)methanone (CID 56742315) is [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-propan-2-ylpyrrolidin-3-yl)methanone is CC(C)Cc1ncc2c(n1)CN(C(=O)C1CCN(C(C)C)C1)C2.
What is the InChIKey of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is MTJYDBZTDMFKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-12(2)7-17-19-8-15-10-22(11-16(15)20-17)18(23)14-5-6-21(9-14)13(3)4/h8,12-14H,5-7,9-11H2,1-4H3.
What are the key properties of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-propan-2-ylpyrrolidin-3-yl)methanone?
[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 316.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 56742315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).