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

C14H15N5O3 — CID 86264544

IUPAC(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C14H15N5O3/c20-13(12-1-2-16-22-12)19-8-10-7-15-14(17-11(10)9-19)18-3-5-21-6-4-18/h1-2,7H,3-6,8-9H2
InChIKeyRWBHUBISYARYAQ-UHFFFAOYSA-N
MW301.31 g/mol
LogP0.46
Rot. Bonds2

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

(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1,2-oxazol-5-yl)methanone (PubChem CID 86264544) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is (2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1,2-oxazol-5-yl)methanone
PubChem CID86264544
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C14H15N5O3/c20-13(12-1-2-16-22-12)19-8-10-7-15-14(17-11(10)9-19)18-3-5-21-6-4-18/h1-2,7H,3-6,8-9H2
InChIKeyRWBHUBISYARYAQ-UHFFFAOYSA-N
XLogP0.46
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1,2-oxazol-5-yl)methanone?
The IUPAC name of (2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1,2-oxazol-5-yl)methanone (CID 86264544) is (2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for (2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1,2-oxazol-5-yl)methanone is O=C(c1ccno1)N1Cc2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of (2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1,2-oxazol-5-yl)methanone?
The InChIKey is RWBHUBISYARYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c20-13(12-1-2-16-22-12)19-8-10-7-15-14(17-11(10)9-19)18-3-5-21-6-4-18/h1-2,7H,3-6,8-9H2.
What are the key properties of (2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1,2-oxazol-5-yl)methanone?
(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1,2-oxazol-5-yl)methanone has a molecular weight of 301.31 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 86264544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).