(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

C17H22N4O2 — CID 56758077

IUPAC(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1Cc2cnc(C(C)(C)C)nc2C1
InChIInChI=1S/C17H22N4O2/c1-6-12-14(10(2)23-20-12)15(22)21-8-11-7-18-16(17(3,4)5)19-13(11)9-21/h7H,6,8-9H2,1-5H3
InChIKeyUYNSXVVAJRPXQC-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.79
Rot. Bonds2

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

(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 56758077) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID56758077
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1Cc2cnc(C(C)(C)C)nc2C1
InChIInChI=1S/C17H22N4O2/c1-6-12-14(10(2)23-20-12)15(22)21-8-11-7-18-16(17(3,4)5)19-13(11)9-21/h7H,6,8-9H2,1-5H3
InChIKeyUYNSXVVAJRPXQC-UHFFFAOYSA-N
XLogP2.79
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (CID 56758077) is (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is CCc1noc(C)c1C(=O)N1Cc2cnc(C(C)(C)C)nc2C1.
What is the InChIKey of (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is UYNSXVVAJRPXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-6-12-14(10(2)23-20-12)15(22)21-8-11-7-18-16(17(3,4)5)19-13(11)9-21/h7H,6,8-9H2,1-5H3.
What are the key properties of (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 56758077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).