1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one

C16H20N4O — CID 56744309

IUPAC1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one
SMILESCCc1ncc2c(n1)CN(C(=O)C(CC)n1cccc1)C2
InChIInChI=1S/C16H20N4O/c1-3-14(19-7-5-6-8-19)16(21)20-10-12-9-17-15(4-2)18-13(12)11-20/h5-9,14H,3-4,10-11H2,1-2H3
InChIKeyZCUFYBPFLDMMMJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.33
Rot. Bonds4

About 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one

1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one (PubChem CID 56744309) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one
PubChem CID56744309
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one
SMILESCCc1ncc2c(n1)CN(C(=O)C(CC)n1cccc1)C2
InChIInChI=1S/C16H20N4O/c1-3-14(19-7-5-6-8-19)16(21)20-10-12-9-17-15(4-2)18-13(12)11-20/h5-9,14H,3-4,10-11H2,1-2H3
InChIKeyZCUFYBPFLDMMMJ-UHFFFAOYSA-N
XLogP2.33
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrazol-1-ylbutan-1-one
CID 95221648
(2S)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-imidazol-1-ylpropan-1-one
CID 95222416
N-[(2R)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 95200929
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
CID 56754351
2-(4-chlorophenyl)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-methylbutan-1-one
CID 56741223
2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone
CID 56759694
(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 56750974
(2R)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 95226511
(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone
CID 56743916
(1-tert-butylpyrrol-3-yl)-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 56760584
(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone
CID 56754940
1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-(4-methoxyphenyl)butan-1-one
CID 56754045

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one?
The IUPAC name of 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one (CID 56744309) is 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one.
What is the SMILES notation for 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one?
The canonical SMILES for 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one is CCc1ncc2c(n1)CN(C(=O)C(CC)n1cccc1)C2.
What is the InChIKey of 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one?
The InChIKey is ZCUFYBPFLDMMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-14(19-7-5-6-8-19)16(21)20-10-12-9-17-15(4-2)18-13(12)11-20/h5-9,14H,3-4,10-11H2,1-2H3.
What are the key properties of 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one?
1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one has a molecular weight of 284.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one is sourced from PubChem (CID 56744309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).