4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-ethylpyridin-2-one

C18H22N4O2 — CID 56740218

IUPAC4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-ethylpyridin-2-one
SMILESCCn1ccc(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)cc1=O
InChIInChI=1S/C18H22N4O2/c1-5-21-7-6-12(8-15(21)23)16(24)22-10-13-9-19-17(18(2,3)4)20-14(13)11-22/h6-9H,5,10-11H2,1-4H3
InChIKeyXRQUVIBSKCCAIA-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.11
Rot. Bonds2

About 4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-ethylpyridin-2-one

4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-ethylpyridin-2-one (PubChem CID 56740218) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-ethylpyridin-2-one
PubChem CID56740218
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-ethylpyridin-2-one
SMILESCCn1ccc(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)cc1=O
InChIInChI=1S/C18H22N4O2/c1-5-21-7-6-12(8-15(21)23)16(24)22-10-13-9-19-17(18(2,3)4)20-14(13)11-22/h6-9H,5,10-11H2,1-4H3
InChIKeyXRQUVIBSKCCAIA-UHFFFAOYSA-N
XLogP2.11
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-ethylpyridin-2-one?
The IUPAC name of 4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-ethylpyridin-2-one (CID 56740218) is 4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-ethylpyridin-2-one.
What is the SMILES notation for 4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-ethylpyridin-2-one?
The canonical SMILES for 4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-ethylpyridin-2-one is CCn1ccc(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)cc1=O.
What is the InChIKey of 4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-ethylpyridin-2-one?
The InChIKey is XRQUVIBSKCCAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-5-21-7-6-12(8-15(21)23)16(24)22-10-13-9-19-17(18(2,3)4)20-14(13)11-22/h6-9H,5,10-11H2,1-4H3.
What are the key properties of 4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-ethylpyridin-2-one?
4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-ethylpyridin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-ethylpyridin-2-one is sourced from PubChem (CID 56740218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).