6-hydroxy-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrimidine-2,4-dione

C11H17N5O3 — CID 135493362

IUPAC6-hydroxy-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrimidine-2,4-dione
SMILESC/C(=N\N1CCN(C)CC1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H17N5O3/c1-7(14-16-5-3-15(2)4-6-16)8-9(17)12-11(19)13-10(8)18/h3-6H2,1-2H3,(H3,12,13,17,18,19)/b14-7+
InChIKeyGRSGFNONFNFQEY-VGOFMYFVSA-N
MW267.29 g/mol
LogP-1.26
Rot. Bonds2

About 6-hydroxy-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrimidine-2,4-dione (PubChem CID 135493362) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-hydroxy-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrimidine-2,4-dione
PubChem CID135493362
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name6-hydroxy-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrimidine-2,4-dione
SMILESC/C(=N\N1CCN(C)CC1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H17N5O3/c1-7(14-16-5-3-15(2)4-6-16)8-9(17)12-11(19)13-10(8)18/h3-6H2,1-2H3,(H3,12,13,17,18,19)/b14-7+
InChIKeyGRSGFNONFNFQEY-VGOFMYFVSA-N
XLogP-1.26
TPSA104.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-hydroxy-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrimidine-2,4-dione (CID 135493362) is 6-hydroxy-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrimidine-2,4-dione is C/C(=N\N1CCN(C)CC1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrimidine-2,4-dione?
The InChIKey is GRSGFNONFNFQEY-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-7(14-16-5-3-15(2)4-6-16)8-9(17)12-11(19)13-10(8)18/h3-6H2,1-2H3,(H3,12,13,17,18,19)/b14-7+.
What are the key properties of 6-hydroxy-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrimidine-2,4-dione has a molecular weight of 267.29 g/mol, XLogP of -1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135493362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).