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

C23H34N4O3 — CID 4110675

IUPAC6-[5-(diethylamino)pentan-2-yl]-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCCN(CC)CCCC(C)N1CC2=C(C1=O)C(c1ccc(OC)cc1)NC(=O)N2C
InChIInChI=1S/C23H34N4O3/c1-6-26(7-2)14-8-9-16(3)27-15-19-20(22(27)28)21(24-23(29)25(19)4)17-10-12-18(30-5)13-11-17/h10-13,16,21H,6-9,14-15H2,1-5H3,(H,24,29)
InChIKeyGWHMKAORXPNUQT-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.00
Rot. Bonds9

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

6-[5-(diethylamino)pentan-2-yl]-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 4110675) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 6-[5-(diethylamino)pentan-2-yl]-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name6-[5-(diethylamino)pentan-2-yl]-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID4110675
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name6-[5-(diethylamino)pentan-2-yl]-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCCN(CC)CCCC(C)N1CC2=C(C1=O)C(c1ccc(OC)cc1)NC(=O)N2C
InChIInChI=1S/C23H34N4O3/c1-6-26(7-2)14-8-9-16(3)27-15-19-20(22(27)28)21(24-23(29)25(19)4)17-10-12-18(30-5)13-11-17/h10-13,16,21H,6-9,14-15H2,1-5H3,(H,24,29)
InChIKeyGWHMKAORXPNUQT-UHFFFAOYSA-N
XLogP3.00
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[5-(diethylamino)pentan-2-yl]-4-(4-methoxyphenyl)-1-methyl-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-(3-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 4129561
(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
(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
(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
diethyl-[(4S)-4-[(4S)-4-(4-fluorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]pentyl]azanium
CID 7356685
6-butyl-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42796656
(4S)-6-(4-ethylphenyl)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7347474
(2S)-N-(furan-2-ylmethyl)-2-[(4S)-4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-2-phenylacetamide
CID 93136248
(4S)-6-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 26433492
(2S)-2-[(4S)-4-(4-chlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 98198003
(4S)-1-methyl-4-phenyl-6-[(1R)-1-phenylethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7144798
(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

Frequently Asked Questions

What is the IUPAC name of 6-[5-(diethylamino)pentan-2-yl]-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 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) is 6-[5-(diethylamino)pentan-2-yl]-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 6-[5-(diethylamino)pentan-2-yl]-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 6-[5-(diethylamino)pentan-2-yl]-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is CCN(CC)CCCC(C)N1CC2=C(C1=O)C(c1ccc(OC)cc1)NC(=O)N2C.
What is the InChIKey of 6-[5-(diethylamino)pentan-2-yl]-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is GWHMKAORXPNUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-6-26(7-2)14-8-9-16(3)27-15-19-20(22(27)28)21(24-23(29)25(19)4)17-10-12-18(30-5)13-11-17/h10-13,16,21H,6-9,14-15H2,1-5H3,(H,24,29).
What are the key properties of 6-[5-(diethylamino)pentan-2-yl]-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
6-[5-(diethylamino)pentan-2-yl]-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 414.55 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(diethylamino)pentan-2-yl]-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 4110675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).