2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide

C13H18N4O2 — CID 110918218

IUPAC2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide
SMILESO=C(NCCNC1=NCCCN1)c1ccccc1O
InChIInChI=1S/C13H18N4O2/c18-11-5-2-1-4-10(11)12(19)14-8-9-17-13-15-6-3-7-16-13/h1-2,4-5,18H,3,6-9H2,(H,14,19)(H2,15,16,17)
InChIKeyHGAFTJBXOIVWCH-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.06
Rot. Bonds4

About 2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide

2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide (PubChem CID 110918218) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide
PubChem CID110918218
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide
SMILESO=C(NCCNC1=NCCCN1)c1ccccc1O
InChIInChI=1S/C13H18N4O2/c18-11-5-2-1-4-10(11)12(19)14-8-9-17-13-15-6-3-7-16-13/h1-2,4-5,18H,3,6-9H2,(H,14,19)(H2,15,16,17)
InChIKeyHGAFTJBXOIVWCH-UHFFFAOYSA-N
XLogP0.06
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide 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 2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide?
The IUPAC name of 2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide (CID 110918218) is 2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide is O=C(NCCNC1=NCCCN1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide?
The InChIKey is HGAFTJBXOIVWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-11-5-2-1-4-10(11)12(19)14-8-9-17-13-15-6-3-7-16-13/h1-2,4-5,18H,3,6-9H2,(H,14,19)(H2,15,16,17).
What are the key properties of 2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide?
2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide has a molecular weight of 262.31 g/mol, XLogP of 0.06, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 110918218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).