2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea

C7H12N6O3S — CID 83115293

IUPAC2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea
SMILESNC(=O)NCCNS(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C7H12N6O3S/c8-6-11-3-5(4-12-6)17(15,16)13-2-1-10-7(9)14/h3-4,13H,1-2H2,(H2,8,11,12)(H3,9,10,14)
InChIKeyDJWICLYMSYGDRE-UHFFFAOYSA-N
MW260.28 g/mol
LogP-1.99
Rot. Bonds5

About 2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea

2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea (PubChem CID 83115293) has the molecular formula C7H12N6O3S and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea.

Molecular Properties

Compound Name2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea
PubChem CID83115293
Molecular FormulaC7H12N6O3S
Molecular Weight260.28 g/mol
Exact Mass260.07
IUPAC Name2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea
SMILESNC(=O)NCCNS(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C7H12N6O3S/c8-6-11-3-5(4-12-6)17(15,16)13-2-1-10-7(9)14/h3-4,13H,1-2H2,(H2,8,11,12)(H3,9,10,14)
InChIKeyDJWICLYMSYGDRE-UHFFFAOYSA-N
XLogP-1.99
TPSA153.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea with MolForge

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

Launch Full Analysis

Related Compounds

5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide
CID 106240972
2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea
CID 83115138
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
CID 83110624
2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide
CID 106241017
2-amino-N-(2-methylsulfonylethyl)pyrimidine-5-sulfonamide
CID 62162959
2-amino-N-ethylpyrimidine-5-sulfonamide
CID 62148318
2-amino-N-[2-(dimethylamino)ethyl]pyrimidine-5-sulfonamide
CID 62149164
2-[(3-aminophenyl)sulfonylamino]ethylurea
CID 83116064
2-amino-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 62150401
2-[(4-fluorophenyl)sulfonylamino]ethylurea
CID 78994332
2-[[4-(bromomethyl)phenyl]sulfonylamino]ethylurea
CID 83115023
2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 62146342

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea?
The IUPAC name of 2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea (CID 83115293) is 2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea.
What is the SMILES notation for 2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea?
The canonical SMILES for 2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea is NC(=O)NCCNS(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea?
The InChIKey is DJWICLYMSYGDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O3S/c8-6-11-3-5(4-12-6)17(15,16)13-2-1-10-7(9)14/h3-4,13H,1-2H2,(H2,8,11,12)(H3,9,10,14).
What are the key properties of 2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea?
2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea has a molecular weight of 260.28 g/mol, XLogP of -1.99, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea is sourced from PubChem (CID 83115293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).