4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-oxazolidin-2-one

C14H18N4O3 — CID 56749381

IUPAC4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-oxazolidin-2-one
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)C1COC(=O)N1)C2
InChIInChI=1S/C14H18N4O3/c1-8(2)3-12-15-4-9-5-18(6-10(9)16-12)13(19)11-7-21-14(20)17-11/h4,8,11H,3,5-7H2,1-2H3,(H,17,20)
InChIKeyNIRBUJJIWFXFSE-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.63
Rot. Bonds3

About 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-oxazolidin-2-one

4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 56749381) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-oxazolidin-2-one
PubChem CID56749381
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-oxazolidin-2-one
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)C1COC(=O)N1)C2
InChIInChI=1S/C14H18N4O3/c1-8(2)3-12-15-4-9-5-18(6-10(9)16-12)13(19)11-7-21-14(20)17-11/h4,8,11H,3,5-7H2,1-2H3,(H,17,20)
InChIKeyNIRBUJJIWFXFSE-UHFFFAOYSA-N
XLogP0.63
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1,3-oxazolidin-2-one
CID 95222499
(1-cyclopropylpyrrol-2-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 118793271
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 56753171
2-[(3S)-1,1-dioxothiolan-3-yl]-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone
CID 95189835
2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]benzonitrile
CID 56741221
(5-chloro-2-pyridinyl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 56742347
(2R)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 95226511
(2-ethoxyphenyl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 56753877
1-methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 118765571
(5-chloro-3-pyridinyl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 56741818
2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone
CID 95221047
[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 97434955

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-oxazolidin-2-one (CID 56749381) is 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-oxazolidin-2-one is CC(C)Cc1ncc2c(n1)CN(C(=O)C1COC(=O)N1)C2.
What is the InChIKey of 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is NIRBUJJIWFXFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8(2)3-12-15-4-9-5-18(6-10(9)16-12)13(19)11-7-21-14(20)17-11/h4,8,11H,3,5-7H2,1-2H3,(H,17,20).
What are the key properties of 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-oxazolidin-2-one?
4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 290.32 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56749381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).