1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one

C21H21N5O2 — CID 168923459

IUPAC1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one
SMILESO=c1ccccn1-c1nc(N2CCOCC2)nc2c1CCN2c1ccccc1
InChIInChI=1S/C21H21N5O2/c27-18-8-4-5-10-26(18)20-17-9-11-25(16-6-2-1-3-7-16)19(17)22-21(23-20)24-12-14-28-15-13-24/h1-8,10H,9,11-15H2
InChIKeyJIXOIYYWNFWZDV-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.16
Rot. Bonds3

About 1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one

1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one (PubChem CID 168923459) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one
PubChem CID168923459
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one
SMILESO=c1ccccn1-c1nc(N2CCOCC2)nc2c1CCN2c1ccccc1
InChIInChI=1S/C21H21N5O2/c27-18-8-4-5-10-26(18)20-17-9-11-25(16-6-2-1-3-7-16)19(17)22-21(23-20)24-12-14-28-15-13-24/h1-8,10H,9,11-15H2
InChIKeyJIXOIYYWNFWZDV-UHFFFAOYSA-N
XLogP2.16
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-morpholin-4-yl-N-(oxetan-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine
CID 168923707
ethane;2-methyl-1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)propan-2-ol
CID 168923711
3-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24890625
4-[4-(1-methylpyrrolidin-3-yl)-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 168923447
ethane;4-(7-phenyl-4-piperidin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
CID 168923667
3-(4-chloro-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)benzonitrile
CID 168923756
3-[7-(4-methylsulfonylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]aniline
CID 163802662
4-[4-(1H-indazol-7-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 71520868
N-[4-cyclopropyl-3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)butyl]benzamide
CID 90913713
N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide
CID 59244650
3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfinic acid
CID 59244525
methyl 3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]benzoate
CID 59244356

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one?
The IUPAC name of 1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one (CID 168923459) is 1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one.
What is the SMILES notation for 1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one?
The canonical SMILES for 1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one is O=c1ccccn1-c1nc(N2CCOCC2)nc2c1CCN2c1ccccc1.
What is the InChIKey of 1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one?
The InChIKey is JIXOIYYWNFWZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-18-8-4-5-10-26(18)20-17-9-11-25(16-6-2-1-3-7-16)19(17)22-21(23-20)24-12-14-28-15-13-24/h1-8,10H,9,11-15H2.
What are the key properties of 1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one?
1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one has a molecular weight of 375.43 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-one is sourced from PubChem (CID 168923459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).