2-[(3-aminopyrazin-2-yl)amino]ethylurea

C7H12N6O — CID 103744261

IUPAC2-[(3-aminopyrazin-2-yl)amino]ethylurea
SMILESNC(=O)NCCNc1nccnc1N
InChIInChI=1S/C7H12N6O/c8-5-6(11-2-1-10-5)12-3-4-13-7(9)14/h1-2H,3-4H2,(H2,8,10)(H,11,12)(H3,9,13,14)
InChIKeyNAVBQXPDXPGQRY-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.86
Rot. Bonds4

About 2-[(3-aminopyrazin-2-yl)amino]ethylurea

2-[(3-aminopyrazin-2-yl)amino]ethylurea (PubChem CID 103744261) has the molecular formula C7H12N6O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[(3-aminopyrazin-2-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(3-aminopyrazin-2-yl)amino]ethylurea
PubChem CID103744261
Molecular FormulaC7H12N6O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name2-[(3-aminopyrazin-2-yl)amino]ethylurea
SMILESNC(=O)NCCNc1nccnc1N
InChIInChI=1S/C7H12N6O/c8-5-6(11-2-1-10-5)12-3-4-13-7(9)14/h1-2H,3-4H2,(H2,8,10)(H,11,12)(H3,9,13,14)
InChIKeyNAVBQXPDXPGQRY-UHFFFAOYSA-N
XLogP-0.86
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-aminopyrazin-2-yl)amino]propanamide
CID 102983726
2-[(3-cyanopyrazin-2-yl)amino]ethylurea
CID 78993991
3-amino-2-[2-(carbamoylamino)ethylamino]pyridine-4-carboxylic acid
CID 83114653
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea
CID 83118452
2-[2-(carbamoylamino)ethylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382591
2-[(6-amino-5-nitropyrimidin-4-yl)amino]ethylurea
CID 83117408
2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea
CID 83117242
5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid
CID 83115123
2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea
CID 83113430
3-N-but-3-ynylpyrazine-2,3-diamine
CID 103662522
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117732
2-(pyrimidin-4-ylamino)ethylurea
CID 83113277

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopyrazin-2-yl)amino]ethylurea?
The IUPAC name of 2-[(3-aminopyrazin-2-yl)amino]ethylurea (CID 103744261) is 2-[(3-aminopyrazin-2-yl)amino]ethylurea.
What is the SMILES notation for 2-[(3-aminopyrazin-2-yl)amino]ethylurea?
The canonical SMILES for 2-[(3-aminopyrazin-2-yl)amino]ethylurea is NC(=O)NCCNc1nccnc1N.
What is the InChIKey of 2-[(3-aminopyrazin-2-yl)amino]ethylurea?
The InChIKey is NAVBQXPDXPGQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O/c8-5-6(11-2-1-10-5)12-3-4-13-7(9)14/h1-2H,3-4H2,(H2,8,10)(H,11,12)(H3,9,13,14).
What are the key properties of 2-[(3-aminopyrazin-2-yl)amino]ethylurea?
2-[(3-aminopyrazin-2-yl)amino]ethylurea has a molecular weight of 196.21 g/mol, XLogP of -0.86, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopyrazin-2-yl)amino]ethylurea is sourced from PubChem (CID 103744261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).