N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C19H22N6O — CID 56896307

IUPACN-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Cc1cc(CNc2nc(-c3cccnc3)nc3c2CNC3)no1
InChIInChI=1S/C19H22N6O/c1-12(2)6-15-7-14(25-26-15)9-22-19-16-10-21-11-17(16)23-18(24-19)13-4-3-5-20-8-13/h3-5,7-8,12,21H,6,9-11H2,1-2H3,(H,22,23,24)
InChIKeyPYLAZMMYSBAPAU-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.94
Rot. Bonds6

About N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 56896307) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID56896307
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Cc1cc(CNc2nc(-c3cccnc3)nc3c2CNC3)no1
InChIInChI=1S/C19H22N6O/c1-12(2)6-15-7-14(25-26-15)9-22-19-16-10-21-11-17(16)23-18(24-19)13-4-3-5-20-8-13/h3-5,7-8,12,21H,6,9-11H2,1-2H3,(H,22,23,24)
InChIKeyPYLAZMMYSBAPAU-UHFFFAOYSA-N
XLogP2.94
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 56896307) is N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is CC(C)Cc1cc(CNc2nc(-c3cccnc3)nc3c2CNC3)no1.
What is the InChIKey of N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PYLAZMMYSBAPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12(2)6-15-7-14(25-26-15)9-22-19-16-10-21-11-17(16)23-18(24-19)13-4-3-5-20-8-13/h3-5,7-8,12,21H,6,9-11H2,1-2H3,(H,22,23,24).
What are the key properties of N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 350.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56896307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).