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

C20H21N5O2 — CID 25190894

IUPAC2-(2-aminopyrimidin-4-yl)-7-(2-phenylmethoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c([nH]2)C(CCOCc2ccccc2)CNC3=O)n1
InChIInChI=1S/C20H21N5O2/c21-20-22-8-6-16(25-20)17-10-15-18(24-17)14(11-23-19(15)26)7-9-27-12-13-4-2-1-3-5-13/h1-6,8,10,14,24H,7,9,11-12H2,(H,23,26)(H2,21,22,25)
InChIKeyQUGLBFISIMJWOG-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.49
Rot. Bonds6

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

2-(2-aminopyrimidin-4-yl)-7-(2-phenylmethoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 25190894) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-7-(2-phenylmethoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-7-(2-phenylmethoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID25190894
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-(2-aminopyrimidin-4-yl)-7-(2-phenylmethoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c([nH]2)C(CCOCc2ccccc2)CNC3=O)n1
InChIInChI=1S/C20H21N5O2/c21-20-22-8-6-16(25-20)17-10-15-18(24-17)14(11-23-19(15)26)7-9-27-12-13-4-2-1-3-5-13/h1-6,8,10,14,24H,7,9,11-12H2,(H,23,26)(H2,21,22,25)
InChIKeyQUGLBFISIMJWOG-UHFFFAOYSA-N
XLogP2.49
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-7-(2-phenylmethoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-7-(2-phenylmethoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 25190894) is 2-(2-aminopyrimidin-4-yl)-7-(2-phenylmethoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-7-(2-phenylmethoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-7-(2-phenylmethoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is Nc1nccc(-c2cc3c([nH]2)C(CCOCc2ccccc2)CNC3=O)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-7-(2-phenylmethoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is QUGLBFISIMJWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-20-22-8-6-16(25-20)17-10-15-18(24-17)14(11-23-19(15)26)7-9-27-12-13-4-2-1-3-5-13/h1-6,8,10,14,24H,7,9,11-12H2,(H,23,26)(H2,21,22,25).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-7-(2-phenylmethoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-7-(2-phenylmethoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 363.42 g/mol, XLogP of 2.49, 6 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)-7-(2-phenylmethoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 25190894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).