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

C19H21N5O2 — CID 56752427

IUPAC[5-(imidazol-1-ylmethyl)furan-2-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)c1ccc(Cn3ccnc3)o1)C2
InChIInChI=1S/C19H21N5O2/c1-13(2)7-18-21-8-14-9-24(11-16(14)22-18)19(25)17-4-3-15(26-17)10-23-6-5-20-12-23/h3-6,8,12-13H,7,9-11H2,1-2H3
InChIKeyBHALWYCTZVKXNY-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.67
Rot. Bonds5

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

[5-(imidazol-1-ylmethyl)furan-2-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone (PubChem CID 56752427) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [5-(imidazol-1-ylmethyl)furan-2-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name[5-(imidazol-1-ylmethyl)furan-2-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
PubChem CID56752427
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[5-(imidazol-1-ylmethyl)furan-2-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)c1ccc(Cn3ccnc3)o1)C2
InChIInChI=1S/C19H21N5O2/c1-13(2)7-18-21-8-14-9-24(11-16(14)22-18)19(25)17-4-3-15(26-17)10-23-6-5-20-12-23/h3-6,8,12-13H,7,9-11H2,1-2H3
InChIKeyBHALWYCTZVKXNY-UHFFFAOYSA-N
XLogP2.67
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(imidazol-1-ylmethyl)furan-2-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The IUPAC name of [5-(imidazol-1-ylmethyl)furan-2-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone (CID 56752427) is [5-(imidazol-1-ylmethyl)furan-2-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for [5-(imidazol-1-ylmethyl)furan-2-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The canonical SMILES for [5-(imidazol-1-ylmethyl)furan-2-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone is CC(C)Cc1ncc2c(n1)CN(C(=O)c1ccc(Cn3ccnc3)o1)C2.
What is the InChIKey of [5-(imidazol-1-ylmethyl)furan-2-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The InChIKey is BHALWYCTZVKXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13(2)7-18-21-8-14-9-24(11-16(14)22-18)19(25)17-4-3-15(26-17)10-23-6-5-20-12-23/h3-6,8,12-13H,7,9-11H2,1-2H3.
What are the key properties of [5-(imidazol-1-ylmethyl)furan-2-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
[5-(imidazol-1-ylmethyl)furan-2-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(imidazol-1-ylmethyl)furan-2-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 56752427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).