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

C24H34N6O3 — CID 66558074

IUPAC1-(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
SMILESCC(CO)NC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)nc3c2CN(C(C)C)C3)cc1
InChIInChI=1S/C24H34N6O3/c1-15(2)29-11-20-21(12-29)27-23(30-9-10-33-14-17(30)4)28-22(20)18-5-7-19(8-6-18)26-24(32)25-16(3)13-31/h5-8,15-17,31H,9-14H2,1-4H3,(H2,25,26,32)/t16?,17-/m0/s1
InChIKeyGTGUCTGVJSSYDT-DJNXLDHESA-N
MW454.58 g/mol
LogP2.60
Rot. Bonds6

About 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

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 (PubChem CID 66558074) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID66558074
Molecular FormulaC24H34N6O3
Molecular Weight454.58 g/mol
Exact Mass454.27
IUPAC Name1-(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
SMILESCC(CO)NC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)nc3c2CN(C(C)C)C3)cc1
InChIInChI=1S/C24H34N6O3/c1-15(2)29-11-20-21(12-29)27-23(30-9-10-33-14-17(30)4)28-22(20)18-5-7-19(8-6-18)26-24(32)25-16(3)13-31/h5-8,15-17,31H,9-14H2,1-4H3,(H2,25,26,32)/t16?,17-/m0/s1
InChIKeyGTGUCTGVJSSYDT-DJNXLDHESA-N
XLogP2.60
TPSA102.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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

Launch Full Analysis

Related Compounds

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-cyclopropyl-2-(3-methylmorpholin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]phenyl]urea
CID 70818813
1-[4-[6-(2-cyanoacetyl)-2-(3-methylmorpholin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]phenyl]-3-cyclopropylurea
CID 70818075
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-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-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 N-[4-[2-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate
CID 77141517
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
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-[4-[4-(3-methylmorpholin-4-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]phenyl]-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea
CID 67029251
1-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]phenyl]-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea
CID 67029250

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(CO)NC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)nc3c2CN(C(C)C)C3)cc1.
What is the InChIKey of 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?
The InChIKey is GTGUCTGVJSSYDT-DJNXLDHESA-N. The full InChI is InChI=1S/C24H34N6O3/c1-15(2)29-11-20-21(12-29)27-23(30-9-10-33-14-17(30)4)28-22(20)18-5-7-19(8-6-18)26-24(32)25-16(3)13-31/h5-8,15-17,31H,9-14H2,1-4H3,(H2,25,26,32)/t16?,17-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 454.58 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66558074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).