1-[6-[(3-hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione

C13H22N4O4 — CID 70648339

IUPAC1-[6-[(3-hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CNCC(CNCCCO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O4/c1-9-8-17(13(20)16-12(9)19)11-7-15-6-10(21-11)5-14-3-2-4-18/h8,10-11,14-15,18H,2-7H2,1H3,(H,16,19,20)
InChIKeyVQGRTWRTQGSGCG-UHFFFAOYSA-N
MW298.34 g/mol
LogP-1.70
Rot. Bonds6

About 1-[6-[(3-hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione

1-[6-[(3-hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 70648339) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[6-[(3-hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[6-[(3-hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID70648339
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name1-[6-[(3-hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CNCC(CNCCCO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O4/c1-9-8-17(13(20)16-12(9)19)11-7-15-6-10(21-11)5-14-3-2-4-18/h8,10-11,14-15,18H,2-7H2,1H3,(H,16,19,20)
InChIKeyVQGRTWRTQGSGCG-UHFFFAOYSA-N
XLogP-1.70
TPSA108.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[6-[(3-hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-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 1-[6-[(3-hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[6-[(3-hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (CID 70648339) is 1-[6-[(3-hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[6-[(3-hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[6-[(3-hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn(C2CNCC(CNCCCO)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[6-[(3-hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is VQGRTWRTQGSGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-9-8-17(13(20)16-12(9)19)11-7-15-6-10(21-11)5-14-3-2-4-18/h8,10-11,14-15,18H,2-7H2,1H3,(H,16,19,20).
What are the key properties of 1-[6-[(3-hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
1-[6-[(3-hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 298.34 g/mol, XLogP of -1.70, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3-hydroxypropylamino)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 70648339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).