2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethylurea

C11H19N5O2 — CID 83092322

IUPAC2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethylurea
SMILESCC(C)Cn1ccnc(NCCNC(N)=O)c1=O
InChIInChI=1S/C11H19N5O2/c1-8(2)7-16-6-5-14-9(10(16)17)13-3-4-15-11(12)18/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)(H3,12,15,18)
InChIKeyKHMMXGJGEWJITM-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.02
Rot. Bonds6

About 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethylurea

2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethylurea (PubChem CID 83092322) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethylurea.

Molecular Properties

Compound Name2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethylurea
PubChem CID83092322
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethylurea
SMILESCC(C)Cn1ccnc(NCCNC(N)=O)c1=O
InChIInChI=1S/C11H19N5O2/c1-8(2)7-16-6-5-14-9(10(16)17)13-3-4-15-11(12)18/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)(H3,12,15,18)
InChIKeyKHMMXGJGEWJITM-UHFFFAOYSA-N
XLogP-0.02
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethylurea?
The IUPAC name of 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethylurea (CID 83092322) is 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethylurea.
What is the SMILES notation for 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethylurea?
The canonical SMILES for 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethylurea is CC(C)Cn1ccnc(NCCNC(N)=O)c1=O.
What is the InChIKey of 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethylurea?
The InChIKey is KHMMXGJGEWJITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8(2)7-16-6-5-14-9(10(16)17)13-3-4-15-11(12)18/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)(H3,12,15,18).
What are the key properties of 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethylurea?
2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethylurea has a molecular weight of 253.31 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethylurea is sourced from PubChem (CID 83092322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).