[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone

C20H26N4O2 — CID 56759492

IUPAC[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)c1ccc(CN3CCCC3)o1)C2
InChIInChI=1S/C20H26N4O2/c1-14(2)9-19-21-10-15-11-24(13-17(15)22-19)20(25)18-6-5-16(26-18)12-23-7-3-4-8-23/h5-6,10,14H,3-4,7-9,11-13H2,1-2H3
InChIKeyNIQXGYUGEOPOJT-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.02
Rot. Bonds5

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

[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone (PubChem CID 56759492) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
PubChem CID56759492
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)c1ccc(CN3CCCC3)o1)C2
InChIInChI=1S/C20H26N4O2/c1-14(2)9-19-21-10-15-11-24(13-17(15)22-19)20(25)18-6-5-16(26-18)12-23-7-3-4-8-23/h5-6,10,14H,3-4,7-9,11-13H2,1-2H3
InChIKeyNIQXGYUGEOPOJT-UHFFFAOYSA-N
XLogP3.02
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-1,4-diazepan-1-yl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone
CID 56752405
(5-chloro-2-pyridinyl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 56742347
(1-cyclopropylpyrrol-2-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 118793271
(2-ethoxyphenyl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 56753877
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 56753171
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 74241802
(2R)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 95226511
1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-3-pyridin-3-ylpropan-1-one
CID 56744083
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 56749440
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 131918948
[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 97434955
4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-oxazolidin-2-one
CID 56749381

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone?
The IUPAC name of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone (CID 56759492) is [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone.
What is the SMILES notation for [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone?
The canonical SMILES for [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone is CC(C)Cc1ncc2c(n1)CN(C(=O)c1ccc(CN3CCCC3)o1)C2.
What is the InChIKey of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone?
The InChIKey is NIQXGYUGEOPOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14(2)9-19-21-10-15-11-24(13-17(15)22-19)20(25)18-6-5-16(26-18)12-23-7-3-4-8-23/h5-6,10,14H,3-4,7-9,11-13H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone?
[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone has a molecular weight of 354.45 g/mol, XLogP of 3.02, 5 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-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 56759492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).