2-(1,4-dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

C12H19N5O — CID 136941415

IUPAC2-(1,4-dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCN1CCN(C)C(c2nc3c(c(=O)[nH]2)CNC3)C1
InChIInChI=1S/C12H19N5O/c1-16-3-4-17(2)10(7-16)11-14-9-6-13-5-8(9)12(18)15-11/h10,13H,3-7H2,1-2H3,(H,14,15,18)
InChIKeyYUAAHUCEGDMGRA-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.71
Rot. Bonds1

About 2-(1,4-dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

2-(1,4-dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941415) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941415
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCN1CCN(C)C(c2nc3c(c(=O)[nH]2)CNC3)C1
InChIInChI=1S/C12H19N5O/c1-16-3-4-17(2)10(7-16)11-14-9-6-13-5-8(9)12(18)15-11/h10,13H,3-7H2,1-2H3,(H,14,15,18)
InChIKeyYUAAHUCEGDMGRA-UHFFFAOYSA-N
XLogP-0.71
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1,4-dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-methyl-3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-one hydrochloride
CID 136666284
(2S)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide
CID 125168747
2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol
CID 136108511
2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 51072226
5-methyl-2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136151988
5-methyl-2-(1-piperazin-1-ylethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136197497
5-methyl-2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136197498
5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136197499
2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136294546
2-(aminomethyl)-6-(2,2,2-trifluoroethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136311424
2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 137011837
2-tert-butyl-4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrimidine-5-carboxamide
CID 137161909

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941415) is 2-(1,4-dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is CN1CCN(C)C(c2nc3c(c(=O)[nH]2)CNC3)C1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is YUAAHUCEGDMGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-16-3-4-17(2)10(7-16)11-14-9-6-13-5-8(9)12(18)15-11/h10,13H,3-7H2,1-2H3,(H,14,15,18).
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(1,4-dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 249.32 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).