6-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C22H21N5O2 — CID 135524116

IUPAC6-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]c(-c3ccnc(-c4ccc(CN5CCOCC5)cc4)c3)cc12
InChIInChI=1S/C22H21N5O2/c28-22-18-12-20(26-21(18)24-14-25-22)17-5-6-23-19(11-17)16-3-1-15(2-4-16)13-27-7-9-29-10-8-27/h1-6,11-12,14H,7-10,13H2,(H2,24,25,26,28)
InChIKeyXZRFKEAJVYSCFA-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.81
Rot. Bonds4

About 6-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

6-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135524116) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 6-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135524116
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name6-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]c(-c3ccnc(-c4ccc(CN5CCOCC5)cc4)c3)cc12
InChIInChI=1S/C22H21N5O2/c28-22-18-12-20(26-21(18)24-14-25-22)17-5-6-23-19(11-17)16-3-1-15(2-4-16)13-27-7-9-29-10-8-27/h1-6,11-12,14H,7-10,13H2,(H2,24,25,26,28)
InChIKeyXZRFKEAJVYSCFA-UHFFFAOYSA-N
XLogP2.81
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135524116) is 6-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2[nH]c(-c3ccnc(-c4ccc(CN5CCOCC5)cc4)c3)cc12.
What is the InChIKey of 6-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is XZRFKEAJVYSCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-22-18-12-20(26-21(18)24-14-25-22)17-5-6-23-19(11-17)16-3-1-15(2-4-16)13-27-7-9-29-10-8-27/h1-6,11-12,14H,7-10,13H2,(H2,24,25,26,28).
What are the key properties of 6-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
6-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 387.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135524116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).