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

C23H25N5O2S — CID 156852543

IUPAC2-morpholin-4-yl-6-propan-2-yl-4-(4-thiophen-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCC(C)N1Cc2c(Nc3ccc(-c4cccs4)cc3)nc(N3CCOCC3)nc2C1=O
InChIInChI=1S/C23H25N5O2S/c1-15(2)28-14-18-20(22(28)29)25-23(27-9-11-30-12-10-27)26-21(18)24-17-7-5-16(6-8-17)19-4-3-13-31-19/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,25,26)
InChIKeyBQPUIVUFEYNBEQ-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.15
Rot. Bonds5

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

2-morpholin-4-yl-6-propan-2-yl-4-(4-thiophen-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 156852543) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-propan-2-yl-4-(4-thiophen-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-morpholin-4-yl-6-propan-2-yl-4-(4-thiophen-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one
PubChem CID156852543
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name2-morpholin-4-yl-6-propan-2-yl-4-(4-thiophen-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCC(C)N1Cc2c(Nc3ccc(-c4cccs4)cc3)nc(N3CCOCC3)nc2C1=O
InChIInChI=1S/C23H25N5O2S/c1-15(2)28-14-18-20(22(28)29)25-23(27-9-11-30-12-10-27)26-21(18)24-17-7-5-16(6-8-17)19-4-3-13-31-19/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,25,26)
InChIKeyBQPUIVUFEYNBEQ-UHFFFAOYSA-N
XLogP4.15
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

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-morpholin-4-yl-6-propan-2-yl-4-(4-propan-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 156852499
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
4-(4-chloroanilino)-2-morpholin-4-yl-6-(2-morpholin-4-ylethyl)-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 10389461
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-[3-(trifluoromethyl)phenyl]ethylamino]-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57479629
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
N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide
CID 117093174
4-(benzhydrylamino)-6-cyclobutyl-2-morpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 68723538
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
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
4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine
CID 66493934

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-propan-2-yl-4-(4-thiophen-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 2-morpholin-4-yl-6-propan-2-yl-4-(4-thiophen-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one (CID 156852543) is 2-morpholin-4-yl-6-propan-2-yl-4-(4-thiophen-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-thiophen-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 2-morpholin-4-yl-6-propan-2-yl-4-(4-thiophen-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one is CC(C)N1Cc2c(Nc3ccc(-c4cccs4)cc3)nc(N3CCOCC3)nc2C1=O.
What is the InChIKey of 2-morpholin-4-yl-6-propan-2-yl-4-(4-thiophen-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is BQPUIVUFEYNBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-15(2)28-14-18-20(22(28)29)25-23(27-9-11-30-12-10-27)26-21(18)24-17-7-5-16(6-8-17)19-4-3-13-31-19/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,25,26).
What are the key properties of 2-morpholin-4-yl-6-propan-2-yl-4-(4-thiophen-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one?
2-morpholin-4-yl-6-propan-2-yl-4-(4-thiophen-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 435.55 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-propan-2-yl-4-(4-thiophen-2-ylanilino)-5H-pyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 156852543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).