6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

C14H21N5O5 — CID 75391776

IUPAC6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CN2CCN(C(=O)CO)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H21N5O5/c1-16-12(15)11(13(23)17(2)14(16)24)9(21)7-18-3-5-19(6-4-18)10(22)8-20/h20H,3-8,15H2,1-2H3
InChIKeyIXDMOAGAZTZLRJ-UHFFFAOYSA-N
MW339.35 g/mol
LogP-3.01
Rot. Bonds4

About 6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 75391776) has the molecular formula C14H21N5O5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID75391776
Molecular FormulaC14H21N5O5
Molecular Weight339.35 g/mol
Exact Mass339.15
IUPAC Name6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CN2CCN(C(=O)CO)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H21N5O5/c1-16-12(15)11(13(23)17(2)14(16)24)9(21)7-18-3-5-19(6-4-18)10(22)8-20/h20H,3-8,15H2,1-2H3
InChIKeyIXDMOAGAZTZLRJ-UHFFFAOYSA-N
XLogP-3.01
TPSA130.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 5-3.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-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-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 75391776) is 6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(=O)CN2CCN(C(=O)CO)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is IXDMOAGAZTZLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O5/c1-16-12(15)11(13(23)17(2)14(16)24)9(21)7-18-3-5-19(6-4-18)10(22)8-20/h20H,3-8,15H2,1-2H3.
What are the key properties of 6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 339.35 g/mol, XLogP of -3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 75391776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).