2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C19H19N5O2 — CID 23582586

IUPAC2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c([nH]2)CC(COCc2ccccc2)NC3=O)n1
InChIInChI=1S/C19H19N5O2/c20-19-21-7-6-15(24-19)17-9-14-16(23-17)8-13(22-18(14)25)11-26-10-12-4-2-1-3-5-12/h1-7,9,13,23H,8,10-11H2,(H,22,25)(H2,20,21,24)
InChIKeyIFQCFAUSONLHSX-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.93
Rot. Bonds5

About 2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 23582586) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID23582586
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c([nH]2)CC(COCc2ccccc2)NC3=O)n1
InChIInChI=1S/C19H19N5O2/c20-19-21-7-6-15(24-19)17-9-14-16(23-17)8-13(22-18(14)25)11-26-10-12-4-2-1-3-5-12/h1-7,9,13,23H,8,10-11H2,(H,22,25)(H2,20,21,24)
InChIKeyIFQCFAUSONLHSX-UHFFFAOYSA-N
XLogP1.93
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

2-[2-(Oxan-4-Ylamino)pyrimidin-4-Yl]-5-(Phenylmethyl)-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480560
2-(pyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11149391
2-(2-aminopyrimidin-4-yl)-7-phenyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11210036
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154
2-[2-(phenylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267850
2-(2-Amino-pyrimidin-4-yl)-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one
CID 11300082
2-(2-aminopyrimidin-4-yl)-6-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11311779
2-{2-[(cyclohexylmethyl)amino]pyrimidin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11347930
N-(4-{4-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-2-yl}pyrimidin-2-yl)benzamide
CID 11404817
2-(2-aminopyrimidin-4-yl)-6-methyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11425051
2-[2-(propylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11425728
2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11483024

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 23582586) is 2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is Nc1nccc(-c2cc3c([nH]2)CC(COCc2ccccc2)NC3=O)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is IFQCFAUSONLHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c20-19-21-7-6-15(24-19)17-9-14-16(23-17)8-13(22-18(14)25)11-26-10-12-4-2-1-3-5-12/h1-7,9,13,23H,8,10-11H2,(H,22,25)(H2,20,21,24).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 349.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-6-(phenylmethoxymethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 23582586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).