[1-(2-methoxyethyl)piperidin-4-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone

C19H30N4O2 — CID 56750825

IUPAC[1-(2-methoxyethyl)piperidin-4-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
SMILESCOCCN1CCC(C(=O)N2Cc3cnc(CC(C)C)nc3C2)CC1
InChIInChI=1S/C19H30N4O2/c1-14(2)10-18-20-11-16-12-23(13-17(16)21-18)19(24)15-4-6-22(7-5-15)8-9-25-3/h11,14-15H,4-10,12-13H2,1-3H3
InChIKeyGFVCWFRAXFWLRO-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.88
Rot. Bonds6

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

[1-(2-methoxyethyl)piperidin-4-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone (PubChem CID 56750825) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [1-(2-methoxyethyl)piperidin-4-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)piperidin-4-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
PubChem CID56750825
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[1-(2-methoxyethyl)piperidin-4-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
SMILESCOCCN1CCC(C(=O)N2Cc3cnc(CC(C)C)nc3C2)CC1
InChIInChI=1S/C19H30N4O2/c1-14(2)10-18-20-11-16-12-23(13-17(16)21-18)19(24)15-4-6-22(7-5-15)8-9-25-3/h11,14-15H,4-10,12-13H2,1-3H3
InChIKeyGFVCWFRAXFWLRO-UHFFFAOYSA-N
XLogP1.88
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)piperidin-4-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The IUPAC name of [1-(2-methoxyethyl)piperidin-4-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone (CID 56750825) is [1-(2-methoxyethyl)piperidin-4-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for [1-(2-methoxyethyl)piperidin-4-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The canonical SMILES for [1-(2-methoxyethyl)piperidin-4-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone is COCCN1CCC(C(=O)N2Cc3cnc(CC(C)C)nc3C2)CC1.
What is the InChIKey of [1-(2-methoxyethyl)piperidin-4-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The InChIKey is GFVCWFRAXFWLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(2)10-18-20-11-16-12-23(13-17(16)21-18)19(24)15-4-6-22(7-5-15)8-9-25-3/h11,14-15H,4-10,12-13H2,1-3H3.
What are the key properties of [1-(2-methoxyethyl)piperidin-4-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
[1-(2-methoxyethyl)piperidin-4-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone has a molecular weight of 346.48 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)piperidin-4-yl]-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 56750825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).