1,3-di(pyrazin-2-yl)urea

C9H8N6O — CID 12628628

IUPAC1,3-di(pyrazin-2-yl)urea
SMILESO=C(Nc1cnccn1)Nc1cnccn1
InChIInChI=1S/C9H8N6O/c16-9(14-7-5-10-1-3-12-7)15-8-6-11-2-4-13-8/h1-6H,(H2,12,13,14,15,16)
InChIKeyGHFWDNFUOMUFJE-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.91
Rot. Bonds2

About 1,3-di(pyrazin-2-yl)urea

1,3-di(pyrazin-2-yl)urea (PubChem CID 12628628) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is 1,3-di(pyrazin-2-yl)urea.

Molecular Properties

Compound Name1,3-di(pyrazin-2-yl)urea
PubChem CID12628628
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name1,3-di(pyrazin-2-yl)urea
SMILESO=C(Nc1cnccn1)Nc1cnccn1
InChIInChI=1S/C9H8N6O/c16-9(14-7-5-10-1-3-12-7)15-8-6-11-2-4-13-8/h1-6H,(H2,12,13,14,15,16)
InChIKeyGHFWDNFUOMUFJE-UHFFFAOYSA-N
XLogP0.91
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyrazin-2-ylacetamide
CID 350679
1,1-Ethanediamine, N,N'-dipyrazinyl-
CID 100791
1-Piperazinylpyrazine
CID 2734639
2-(Piperazin-1-yl)pyrazine hydrochloride
CID 12200486
N-cyclopropyl-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384005
N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384049
4-pyrazin-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 33388808
Di(pyrazin-2-yl)amine
CID 10192597
N-pyrazin-2-ylformamide
CID 12924252
1-(Pyrazin-2-yl)urea
CID 13033268
1-Pyrazin-2-ylimidazolidin-2-one
CID 45917920
Acetamide, N,N'-2,6-pyrazinediylbis-
CID 538976

Frequently Asked Questions

What is the IUPAC name of 1,3-di(pyrazin-2-yl)urea?
The IUPAC name of 1,3-di(pyrazin-2-yl)urea (CID 12628628) is 1,3-di(pyrazin-2-yl)urea.
What is the SMILES notation for 1,3-di(pyrazin-2-yl)urea?
The canonical SMILES for 1,3-di(pyrazin-2-yl)urea is O=C(Nc1cnccn1)Nc1cnccn1.
What is the InChIKey of 1,3-di(pyrazin-2-yl)urea?
The InChIKey is GHFWDNFUOMUFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c16-9(14-7-5-10-1-3-12-7)15-8-6-11-2-4-13-8/h1-6H,(H2,12,13,14,15,16).
What are the key properties of 1,3-di(pyrazin-2-yl)urea?
1,3-di(pyrazin-2-yl)urea has a molecular weight of 216.20 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(pyrazin-2-yl)urea is sourced from PubChem (CID 12628628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).