5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-propan-2-yloxy-2-pyridinyl)methanone

C15H16N4O2 — CID 154746839

IUPAC5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-propan-2-yloxy-2-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2Cc3cncnc3C2)nc1
InChIInChI=1S/C15H16N4O2/c1-10(2)21-12-3-4-13(17-6-12)15(20)19-7-11-5-16-9-18-14(11)8-19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyPKKHRLYUKJFKTC-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.81
Rot. Bonds3

About 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-propan-2-yloxy-2-pyridinyl)methanone

5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-propan-2-yloxy-2-pyridinyl)methanone (PubChem CID 154746839) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-propan-2-yloxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-propan-2-yloxy-2-pyridinyl)methanone
PubChem CID154746839
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-propan-2-yloxy-2-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2Cc3cncnc3C2)nc1
InChIInChI=1S/C15H16N4O2/c1-10(2)21-12-3-4-13(17-6-12)15(20)19-7-11-5-16-9-18-14(11)8-19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyPKKHRLYUKJFKTC-UHFFFAOYSA-N
XLogP1.81
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-propan-2-yloxy-2-pyridinyl)methanone?
The IUPAC name of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-propan-2-yloxy-2-pyridinyl)methanone (CID 154746839) is 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-propan-2-yloxy-2-pyridinyl)methanone.
What is the SMILES notation for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-propan-2-yloxy-2-pyridinyl)methanone?
The canonical SMILES for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-propan-2-yloxy-2-pyridinyl)methanone is CC(C)Oc1ccc(C(=O)N2Cc3cncnc3C2)nc1.
What is the InChIKey of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-propan-2-yloxy-2-pyridinyl)methanone?
The InChIKey is PKKHRLYUKJFKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10(2)21-12-3-4-13(17-6-12)15(20)19-7-11-5-16-9-18-14(11)8-19/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-propan-2-yloxy-2-pyridinyl)methanone?
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-propan-2-yloxy-2-pyridinyl)methanone has a molecular weight of 284.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-propan-2-yloxy-2-pyridinyl)methanone is sourced from PubChem (CID 154746839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).