(4R)-6-[(2S)-5-(diethylamino)pentan-2-yl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

C20H30N4O2S — CID 7327413

IUPAC(4R)-6-[(2S)-5-(diethylamino)pentan-2-yl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCCN(CC)CCC[C@H](C)N1CC2=C(C1=O)[C@H](c1cccs1)NC(=O)N2C
InChIInChI=1S/C20H30N4O2S/c1-5-23(6-2)11-7-9-14(3)24-13-15-17(19(24)25)18(16-10-8-12-27-16)21-20(26)22(15)4/h8,10,12,14,18H,5-7,9,11,13H2,1-4H3,(H,21,26)/t14-,18-/m0/s1
InChIKeyXCQYKPFXFBEJAZ-KSSFIOAISA-N
MW390.55 g/mol
LogP3.05
Rot. Bonds8

About (4R)-6-[(2S)-5-(diethylamino)pentan-2-yl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

(4R)-6-[(2S)-5-(diethylamino)pentan-2-yl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 7327413) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is (4R)-6-[(2S)-5-(diethylamino)pentan-2-yl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name(4R)-6-[(2S)-5-(diethylamino)pentan-2-yl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID7327413
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name(4R)-6-[(2S)-5-(diethylamino)pentan-2-yl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCCN(CC)CCC[C@H](C)N1CC2=C(C1=O)[C@H](c1cccs1)NC(=O)N2C
InChIInChI=1S/C20H30N4O2S/c1-5-23(6-2)11-7-9-14(3)24-13-15-17(19(24)25)18(16-10-8-12-27-16)21-20(26)22(15)4/h8,10,12,14,18H,5-7,9,11,13H2,1-4H3,(H,21,26)/t14-,18-/m0/s1
InChIKeyXCQYKPFXFBEJAZ-KSSFIOAISA-N
XLogP3.05
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-6-[(2S)-5-(diethylamino)pentan-2-yl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione with MolForge

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Related Compounds

6-[5-(diethylamino)pentan-2-yl]-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 4110675
6-[5-(diethylamino)pentan-2-yl]-4-(3-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 4129561
6-(2-hydroxyethyl)-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 45496879
(4R)-6-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7112372
(4S)-4-(2-methoxyphenyl)-1-methyl-6-[(2R)-4-phenylbutan-2-yl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7360505
(4S)-1-methyl-4-phenyl-6-[(1R)-1-phenylethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7144798
(4S)-6-[(2S)-butan-2-yl]-4-(3,5-dimethoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7112706
1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one
CID 168683630
6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83252441
1-[3-(diethylamino)propyl]-4-[hydroxy(phenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 3732372
4-bromo-2-[5-(diethylamino)pentan-2-yl]-5,6-dimethoxy-3H-isoindol-1-one
CID 68860813
1,4-dithiophen-2-yl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 77153151

Frequently Asked Questions

What is the IUPAC name of (4R)-6-[(2S)-5-(diethylamino)pentan-2-yl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of (4R)-6-[(2S)-5-(diethylamino)pentan-2-yl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 7327413) is (4R)-6-[(2S)-5-(diethylamino)pentan-2-yl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for (4R)-6-[(2S)-5-(diethylamino)pentan-2-yl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for (4R)-6-[(2S)-5-(diethylamino)pentan-2-yl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is CCN(CC)CCC[C@H](C)N1CC2=C(C1=O)[C@H](c1cccs1)NC(=O)N2C.
What is the InChIKey of (4R)-6-[(2S)-5-(diethylamino)pentan-2-yl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is XCQYKPFXFBEJAZ-KSSFIOAISA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-5-23(6-2)11-7-9-14(3)24-13-15-17(19(24)25)18(16-10-8-12-27-16)21-20(26)22(15)4/h8,10,12,14,18H,5-7,9,11,13H2,1-4H3,(H,21,26)/t14-,18-/m0/s1.
What are the key properties of (4R)-6-[(2S)-5-(diethylamino)pentan-2-yl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
(4R)-6-[(2S)-5-(diethylamino)pentan-2-yl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 390.55 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-[(2S)-5-(diethylamino)pentan-2-yl]-1-methyl-4-thiophen-2-yl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 7327413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).