2-morpholin-4-yl-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one

C22H29N5O2 — CID 156852499

IUPAC2-morpholin-4-yl-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCC(C)c1ccc(Nc2nc(N3CCOCC3)nc3c2CN(C(C)C)C3=O)cc1
InChIInChI=1S/C22H29N5O2/c1-14(2)16-5-7-17(8-6-16)23-20-18-13-27(15(3)4)21(28)19(18)24-22(25-20)26-9-11-29-12-10-26/h5-8,14-15H,9-13H2,1-4H3,(H,23,24,25)
InChIKeyCAHLINWDRHECFW-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.54
Rot. Bonds5

About 2-morpholin-4-yl-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one

2-morpholin-4-yl-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 156852499) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-morpholin-4-yl-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one
PubChem CID156852499
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-morpholin-4-yl-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCC(C)c1ccc(Nc2nc(N3CCOCC3)nc3c2CN(C(C)C)C3=O)cc1
InChIInChI=1S/C22H29N5O2/c1-14(2)16-5-7-17(8-6-16)23-20-18-13-27(15(3)4)21(28)19(18)24-22(25-20)26-9-11-29-12-10-26/h5-8,14-15H,9-13H2,1-4H3,(H,23,24,25)
InChIKeyCAHLINWDRHECFW-UHFFFAOYSA-N
XLogP3.54
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-yl-6-propan-2-yl-4-(4-thiophen-3-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 156852484
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 156852491
2-morpholin-4-yl-6-propan-2-yl-4-(4-thiophen-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 156852543
4-(4-chloroanilino)-2-morpholin-4-yl-6-(2-morpholin-4-ylethyl)-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 10389461
4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine;hydrochloride
CID 18580222
2-(4-acetylpiperazin-1-yl)-6-propan-2-yl-4-[1-(4-propan-2-yloxyphenyl)ethylamino]-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57480956
2-(4-acetylpiperazin-1-yl)-6-propan-2-yl-4-[1-(4-propylphenyl)ethylamino]-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431774
2-[[4-morpholin-4-yl-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol
CID 5112726
2-[[2-(4-acetylpiperazin-1-yl)-7-oxo-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 57431776
4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 68723538
1-(2-morpholin-4-ylpyrimidin-5-yl)-3-(4-propan-2-ylphenyl)urea
CID 155957576
2-(4-acetylpiperazin-1-yl)-4-[[4-[(dimethylamino)methyl]phenyl]methylamino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 71021279

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 2-morpholin-4-yl-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one (CID 156852499) is 2-morpholin-4-yl-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-morpholin-4-yl-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 2-morpholin-4-yl-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one is CC(C)c1ccc(Nc2nc(N3CCOCC3)nc3c2CN(C(C)C)C3=O)cc1.
What is the InChIKey of 2-morpholin-4-yl-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is CAHLINWDRHECFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-14(2)16-5-7-17(8-6-16)23-20-18-13-27(15(3)4)21(28)19(18)24-22(25-20)26-9-11-29-12-10-26/h5-8,14-15H,9-13H2,1-4H3,(H,23,24,25).
What are the key properties of 2-morpholin-4-yl-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one?
2-morpholin-4-yl-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 395.51 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 156852499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).