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

C14H16N4O2 — CID 56747893

IUPAC[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1,2-oxazol-5-yl)methanone
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)c1ccno1)C2
InChIInChI=1S/C14H16N4O2/c1-9(2)5-13-15-6-10-7-18(8-11(10)17-13)14(19)12-3-4-16-20-12/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyNDHAFGBNZXQYHS-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.82
Rot. Bonds3

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

[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 56747893) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID56747893
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1,2-oxazol-5-yl)methanone
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)c1ccno1)C2
InChIInChI=1S/C14H16N4O2/c1-9(2)5-13-15-6-10-7-18(8-11(10)17-13)14(19)12-3-4-16-20-12/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyNDHAFGBNZXQYHS-UHFFFAOYSA-N
XLogP1.82
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1,2-oxazol-5-yl)methanone (CID 56747893) is [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1,2-oxazol-5-yl)methanone is CC(C)Cc1ncc2c(n1)CN(C(=O)c1ccno1)C2.
What is the InChIKey of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is NDHAFGBNZXQYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9(2)5-13-15-6-10-7-18(8-11(10)17-13)14(19)12-3-4-16-20-12/h3-4,6,9H,5,7-8H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1,2-oxazol-5-yl)methanone?
[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 272.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 56747893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).