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

C17H22N4O3 — CID 56759146

IUPAC(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
SMILESCOCc1c(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)noc1C
InChIInChI=1S/C17H22N4O3/c1-10-12(9-23-5)14(20-24-10)15(22)21-7-11-6-18-16(17(2,3)4)19-13(11)8-21/h6H,7-9H2,1-5H3
InChIKeyIUWRSNKMFKGWLE-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.37
Rot. Bonds3

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

(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone (PubChem CID 56759146) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
PubChem CID56759146
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
SMILESCOCc1c(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)noc1C
InChIInChI=1S/C17H22N4O3/c1-10-12(9-23-5)14(20-24-10)15(22)21-7-11-6-18-16(17(2,3)4)19-13(11)8-21/h6H,7-9H2,1-5H3
InChIKeyIUWRSNKMFKGWLE-UHFFFAOYSA-N
XLogP2.37
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(1-{[4-(methoxymethyl)-5-methyl-3-isoxazolyl]carbonyl}-3-piperidinyl)(1-methyl-1H-imidazol-2-yl)methanone
CID 70745499
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-4-(methoxymethyl)-5-methyl-3-isoxazolecarboxamide
CID 91923221
N-[2-(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)ethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 124039606
[4-(Methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(9-propyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl)methanone
CID 124049361
[4-(Methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-(9-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl)methanone
CID 124049471
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]methanone
CID 164639628
[6-(5-fluoropyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 177804693
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[6-(5-fluoropyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]ethanone
CID 177804759
2-(3,5-Dimethylisoxazol-4-yl)-1-(3-(3-(pyrimidin-2-yl)-1,2,4-oxadiazol-5-yl)azetidin-1-yl)ethanone
CID 49745463
2-isobutyl-6-[(5-isopropylisoxazol-3-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56744539
2-tert-butyl-6-[(3-ethyl-5-methylisoxazol-4-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56758077
tert-butyl 3-[[1-(5-methoxycarbonylpyrimidin-2-yl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylate
CID 155255943

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone?
The IUPAC name of (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone (CID 56759146) is (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone is COCc1c(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)noc1C.
What is the InChIKey of (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone?
The InChIKey is IUWRSNKMFKGWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10-12(9-23-5)14(20-24-10)15(22)21-7-11-6-18-16(17(2,3)4)19-13(11)8-21/h6H,7-9H2,1-5H3.
What are the key properties of (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone?
(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 56759146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).