2-(4-acetylpiperazin-1-yl)-4-(2-methoxypropylamino)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one

C19H30N6O3 — CID 68723294

IUPAC2-(4-acetylpiperazin-1-yl)-4-(2-methoxypropylamino)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCCCN1Cc2c(NCC(C)OC)nc(N3CCN(C(C)=O)CC3)nc2C1=O
InChIInChI=1S/C19H30N6O3/c1-5-6-25-12-15-16(18(25)27)21-19(22-17(15)20-11-13(2)28-4)24-9-7-23(8-10-24)14(3)26/h13H,5-12H2,1-4H3,(H,20,21,22)
InChIKeyGTWCTZXVQRSSQL-UHFFFAOYSA-N
MW390.49 g/mol
LogP0.96
Rot. Bonds7

About 2-(4-acetylpiperazin-1-yl)-4-(2-methoxypropylamino)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one

2-(4-acetylpiperazin-1-yl)-4-(2-methoxypropylamino)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 68723294) has the molecular formula C19H30N6O3 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-4-(2-methoxypropylamino)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-4-(2-methoxypropylamino)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
PubChem CID68723294
Molecular FormulaC19H30N6O3
Molecular Weight390.49 g/mol
Exact Mass390.24
IUPAC Name2-(4-acetylpiperazin-1-yl)-4-(2-methoxypropylamino)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCCCN1Cc2c(NCC(C)OC)nc(N3CCN(C(C)=O)CC3)nc2C1=O
InChIInChI=1S/C19H30N6O3/c1-5-6-25-12-15-16(18(25)27)21-19(22-17(15)20-11-13(2)28-4)24-9-7-23(8-10-24)14(3)26/h13H,5-12H2,1-4H3,(H,20,21,22)
InChIKeyGTWCTZXVQRSSQL-UHFFFAOYSA-N
XLogP0.96
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-acetylpiperazin-1-yl)-4-[(4-methylphenyl)methylamino]-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 68723360
2-(4-acetylpiperazin-1-yl)-6-propyl-4-(quinolin-4-ylmethylamino)-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 68722357
ethyl 4-[[2-(4-acetylpiperazin-1-yl)-7-oxo-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]butanoate
CID 57499989
2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 68721916
2-(4-acetylpiperazin-1-yl)-4-[(1,5-dimethylpyrazol-3-yl)methylamino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57499956
6-[[2-(4-acetylpiperazin-1-yl)-7-oxo-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]hexanoic acid
CID 174592469
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
2-(4-acetylpiperazin-1-yl)-6-propan-2-yl-4-[1-(4-propylphenyl)ethylamino]-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431774
4-[[[2-(4-acetylpiperazin-1-yl)-7-oxo-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]methyl]benzonitrile
CID 71021202
2-(4-acetylpiperazin-1-yl)-4-[(1-methylindol-5-yl)methylamino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431922
2-(4-acetylpiperazin-1-yl)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methylamino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431822
2-(4-acetylpiperazin-1-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57499944

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-4-(2-methoxypropylamino)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-4-(2-methoxypropylamino)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one (CID 68723294) is 2-(4-acetylpiperazin-1-yl)-4-(2-methoxypropylamino)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-4-(2-methoxypropylamino)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-4-(2-methoxypropylamino)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one is CCCN1Cc2c(NCC(C)OC)nc(N3CCN(C(C)=O)CC3)nc2C1=O.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-4-(2-methoxypropylamino)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is GTWCTZXVQRSSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O3/c1-5-6-25-12-15-16(18(25)27)21-19(22-17(15)20-11-13(2)28-4)24-9-7-23(8-10-24)14(3)26/h13H,5-12H2,1-4H3,(H,20,21,22).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-4-(2-methoxypropylamino)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
2-(4-acetylpiperazin-1-yl)-4-(2-methoxypropylamino)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 390.49 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-4-(2-methoxypropylamino)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 68723294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).