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

C13H21N5O — CID 136941394

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCN1CCN(C)C(Cc2nc3c(c(=O)[nH]2)CNC3)C1
InChIInChI=1S/C13H21N5O/c1-17-3-4-18(2)9(8-17)5-12-15-11-7-14-6-10(11)13(19)16-12/h9,14H,3-8H2,1-2H3,(H,15,16,19)
InChIKeyNWBGRYMCUQWDGN-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.84
Rot. Bonds2

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

2-[(1,4-dimethylpiperazin-2-yl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941394) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941394
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCN1CCN(C)C(Cc2nc3c(c(=O)[nH]2)CNC3)C1
InChIInChI=1S/C13H21N5O/c1-17-3-4-18(2)9(8-17)5-12-15-11-7-14-6-10(11)13(19)16-12/h9,14H,3-8H2,1-2H3,(H,15,16,19)
InChIKeyNWBGRYMCUQWDGN-UHFFFAOYSA-N
XLogP-0.84
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(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
2-Cyclopropyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 136108516
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
2-(1,4-dimethylpiperazin-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136294546
2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 137011837
2-Isopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-ol
CID 136108517
10-Methyl-6-propan-2-yl-1,5,8,11-tetrazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one
CID 160078046
6-Propan-2-yl-1,5,8,11-tetrazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one
CID 161192615
2,6-di(propan-2-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 169303468

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941394) is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is CN1CCN(C)C(Cc2nc3c(c(=O)[nH]2)CNC3)C1.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is NWBGRYMCUQWDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-17-3-4-18(2)9(8-17)5-12-15-11-7-14-6-10(11)13(19)16-12/h9,14H,3-8H2,1-2H3,(H,15,16,19).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-[(1,4-dimethylpiperazin-2-yl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 263.34 g/mol, XLogP of -0.84, 2 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)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).