ethyl N-[4-[2-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate

C20H25N5O3 — CID 77141517

IUPACethyl N-[4-[2-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(-c2nc(N3CCOCC3C)nc3c2CNC3)cc1
InChIInChI=1S/C20H25N5O3/c1-3-28-20(26)22-15-6-4-14(5-7-15)18-16-10-21-11-17(16)23-19(24-18)25-8-9-27-12-13(25)2/h4-7,13,21H,3,8-12H2,1-2H3,(H,22,26)
InChIKeyIYCHWCHPPBFLOC-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.54
Rot. Bonds4

About ethyl N-[4-[2-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate

ethyl N-[4-[2-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate (PubChem CID 77141517) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl N-[4-[2-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[2-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate
PubChem CID77141517
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Nameethyl N-[4-[2-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(-c2nc(N3CCOCC3C)nc3c2CNC3)cc1
InChIInChI=1S/C20H25N5O3/c1-3-28-20(26)22-15-6-4-14(5-7-15)18-16-10-21-11-17(16)23-19(24-18)25-8-9-27-12-13(25)2/h4-7,13,21H,3,8-12H2,1-2H3,(H,22,26)
InChIKeyIYCHWCHPPBFLOC-UHFFFAOYSA-N
XLogP2.54
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

phenyl N-[4-[2-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate
CID 86721728
1-cyclopropyl-3-[4-[2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]urea
CID 66559012
1-(1-hydroxypropan-2-yl)-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]phenyl]urea
CID 66558074
1-cyclopropyl-3-[4-[6-cyclopropyl-2-(3-methylmorpholin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]phenyl]urea
CID 70818813
1-(2-hydroxyethyl)-3-[4-[2-[(3S)-3-methylmorpholin-4-yl]-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]phenyl]urea
CID 66559181
1-cyclopropyl-3-[4-[6-(3-methoxypropanoyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]phenyl]urea
CID 66559096
1-[4-[6-(2-cyanoacetyl)-2-(3-methylmorpholin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]phenyl]-3-cyclopropylurea
CID 70818075
tert-butyl 4-[4-[(3-methylmorpholine-4-carbonyl)amino]phenyl]-2-(3-methylmorpholin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 90198908
tert-butyl 4-[4-[[(3S)-3-methylmorpholine-4-carbonyl]amino]phenyl]-2-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 90198907
1-cyclopropyl-3-[4-[6-[3-(dimethylamino)propanoyl]-2-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]phenyl]urea
CID 66559007
[ethyl-[[4-[4-(3-methylmorpholin-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]carbamoyl]amino] 2,2,2-trifluoroacetate
CID 87107868
ethyl 2-[4-(ethylcarbamoylamino)phenyl]-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 46913172

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[2-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[2-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate (CID 77141517) is ethyl N-[4-[2-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[2-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[2-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate is CCOC(=O)Nc1ccc(-c2nc(N3CCOCC3C)nc3c2CNC3)cc1.
What is the InChIKey of ethyl N-[4-[2-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate?
The InChIKey is IYCHWCHPPBFLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-3-28-20(26)22-15-6-4-14(5-7-15)18-16-10-21-11-17(16)23-19(24-18)25-8-9-27-12-13(25)2/h4-7,13,21H,3,8-12H2,1-2H3,(H,22,26).
What are the key properties of ethyl N-[4-[2-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate?
ethyl N-[4-[2-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate has a molecular weight of 383.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[2-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate is sourced from PubChem (CID 77141517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).