4-(2-methylimidazol-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one

C18H25N5O — CID 56748999

IUPAC4-(2-methylimidazol-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one
SMILESCc1nccn1CCCC(=O)N1Cc2cnc(CC(C)C)nc2C1
InChIInChI=1S/C18H25N5O/c1-13(2)9-17-20-10-15-11-23(12-16(15)21-17)18(24)5-4-7-22-8-6-19-14(22)3/h6,8,10,13H,4-5,7,9,11-12H2,1-3H3
InChIKeyKGHXYCQWHLQDOS-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.50
Rot. Bonds6

About 4-(2-methylimidazol-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one

4-(2-methylimidazol-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one (PubChem CID 56748999) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one
PubChem CID56748999
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-(2-methylimidazol-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one
SMILESCc1nccn1CCCC(=O)N1Cc2cnc(CC(C)C)nc2C1
InChIInChI=1S/C18H25N5O/c1-13(2)9-17-20-10-15-11-23(12-16(15)21-17)18(24)5-4-7-22-8-6-19-14(22)3/h6,8,10,13H,4-5,7,9,11-12H2,1-3H3
InChIKeyKGHXYCQWHLQDOS-UHFFFAOYSA-N
XLogP2.50
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-methylimidazol-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-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

6-acetyl-2-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56745332
2-tert-butyl-6-[2-methyl-2-(1H-pyrrol-1-yl)propanoyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56755204
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 56802161
(4-Methylpyrimidin-5-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 56802172
1-(2-oxo-2-(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)ethyl)pyrrolidine-2,5-dione
CID 71805766
4-(2-methylimidazol-1-yl)-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butanamide
CID 72001947
6-(2-methylpropyl)-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 52234090
2-isobutyl-6-(5-propyl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56707871
2-isobutyl-6-(5-isopropyl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56712810
5-Methyl-3-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-1,2,4-oxadiazole
CID 56721517
2-ethyl-6-[(2-isopropyl-4-methylpyrimidin-5-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56741514
1-{2-[2-(2-isopropylpyrimidin-4-yl)-1H-imidazol-1-yl]ethyl}imidazolidin-2-one
CID 56866012

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one?
The IUPAC name of 4-(2-methylimidazol-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one (CID 56748999) is 4-(2-methylimidazol-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one is Cc1nccn1CCCC(=O)N1Cc2cnc(CC(C)C)nc2C1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one?
The InChIKey is KGHXYCQWHLQDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13(2)9-17-20-10-15-11-23(12-16(15)21-17)18(24)5-4-7-22-8-6-19-14(22)3/h6,8,10,13H,4-5,7,9,11-12H2,1-3H3.
What are the key properties of 4-(2-methylimidazol-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one?
4-(2-methylimidazol-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one is sourced from PubChem (CID 56748999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).