6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one

C21H25N5O3 — CID 57431755

IUPAC6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESO=C1c2nc(N3CCOCC3)nc(N3CCOCC3)c2CN1Cc1ccccc1
InChIInChI=1S/C21H25N5O3/c27-20-18-17(15-26(20)14-16-4-2-1-3-5-16)19(24-6-10-28-11-7-24)23-21(22-18)25-8-12-29-13-9-25/h1-5H,6-15H2
InChIKeyOLCOZECKMWCLNV-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.31
Rot. Bonds4

About 6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one

6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 57431755) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
PubChem CID57431755
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESO=C1c2nc(N3CCOCC3)nc(N3CCOCC3)c2CN1Cc1ccccc1
InChIInChI=1S/C21H25N5O3/c27-20-18-17(15-26(20)14-16-4-2-1-3-5-16)19(24-6-10-28-11-7-24)23-21(22-18)25-8-12-29-13-9-25/h1-5H,6-15H2
InChIKeyOLCOZECKMWCLNV-UHFFFAOYSA-N
XLogP1.31
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one
CID 50915897
4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine
CID 12624037
1-ethyl-3-[4-[6-[(4-methoxyphenyl)methyl]-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 59239632
4-(4-chloroanilino)-2-morpholin-4-yl-6-(2-morpholin-4-ylethyl)-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 10389461
4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine
CID 10619455
4-[6-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42870493
4-[3-benzyl-9-[(4-methoxyphenyl)methyl]-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-1,4(12),5,7-tetraen-6-yl]morpholine
CID 59506517
4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 46854232
2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 15050995
2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 68721916
(8S)-6-benzyl-8-ethenyl-2-morpholin-4-yl-9-propyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 166072352
acetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
CID 91001173

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one (CID 57431755) is 6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one is O=C1c2nc(N3CCOCC3)nc(N3CCOCC3)c2CN1Cc1ccccc1.
What is the InChIKey of 6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is OLCOZECKMWCLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c27-20-18-17(15-26(20)14-16-4-2-1-3-5-16)19(24-6-10-28-11-7-24)23-21(22-18)25-8-12-29-13-9-25/h1-5H,6-15H2.
What are the key properties of 6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 395.46 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 57431755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).