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

C17H22N4O2 — CID 56744539

IUPAC[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)c1cc(C(C)C)on1)C2
InChIInChI=1S/C17H22N4O2/c1-10(2)5-16-18-7-12-8-21(9-14(12)19-16)17(22)13-6-15(11(3)4)23-20-13/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyFYCZJEFKEDYKSO-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.94
Rot. Bonds4

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

[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 56744539) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID56744539
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)c1cc(C(C)C)on1)C2
InChIInChI=1S/C17H22N4O2/c1-10(2)5-16-18-7-12-8-21(9-14(12)19-16)17(22)13-6-15(11(3)4)23-20-13/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyFYCZJEFKEDYKSO-UHFFFAOYSA-N
XLogP2.94
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10800784, Example 21
CID 153311183
US11186582, Example 434
CID 118472483
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(3-Ethyl-1,2-oxazol-5-yl)-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 45232967
1-[(3,5-dimethyl-4-isoxazolyl)acetyl]-3-[(2-methyl-1H-imidazol-1-yl)methyl]piperidine
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5-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propyl-3-isoxazolecarboxamide
CID 70777484
(4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
CID 71451535
(5-Cyclopropyl-1,2-oxazol-3-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
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CID 72125869
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 72135633
(5-Cyclopropyl-1,2-oxazol-3-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 72143160
5-Isobutyl-1'-[(5-methylisoxazol-3-yl)carbonyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72840440

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (CID 56744539) is [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is CC(C)Cc1ncc2c(n1)CN(C(=O)c1cc(C(C)C)on1)C2.
What is the InChIKey of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is FYCZJEFKEDYKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-10(2)5-16-18-7-12-8-21(9-14(12)19-16)17(22)13-6-15(11(3)4)23-20-13/h6-7,10-11H,5,8-9H2,1-4H3.
What are the key properties of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 56744539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).