2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea

C8H14N6O2 — CID 83118452

IUPAC2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea
SMILESCOc1c(N)ncnc1NCCNC(N)=O
InChIInChI=1S/C8H14N6O2/c1-16-5-6(9)13-4-14-7(5)11-2-3-12-8(10)15/h4H,2-3H2,1H3,(H3,10,12,15)(H3,9,11,13,14)
InChIKeyBLOXDYVCMFNTTJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.85
Rot. Bonds5

About 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea

2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea (PubChem CID 83118452) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea
PubChem CID83118452
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea
SMILESCOc1c(N)ncnc1NCCNC(N)=O
InChIInChI=1S/C8H14N6O2/c1-16-5-6(9)13-4-14-7(5)11-2-3-12-8(10)15/h4H,2-3H2,1H3,(H3,10,12,15)(H3,9,11,13,14)
InChIKeyBLOXDYVCMFNTTJ-UHFFFAOYSA-N
XLogP-0.85
TPSA128.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea?
The IUPAC name of 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea (CID 83118452) is 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea.
What is the SMILES notation for 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea?
The canonical SMILES for 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea is COc1c(N)ncnc1NCCNC(N)=O.
What is the InChIKey of 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea?
The InChIKey is BLOXDYVCMFNTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c1-16-5-6(9)13-4-14-7(5)11-2-3-12-8(10)15/h4H,2-3H2,1H3,(H3,10,12,15)(H3,9,11,13,14).
What are the key properties of 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea?
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea has a molecular weight of 226.24 g/mol, XLogP of -0.85, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea is sourced from PubChem (CID 83118452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).