1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea

C11H8F2N4O — CID 970790

IUPAC1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1ccc(F)cc1F
InChIInChI=1S/C11H8F2N4O/c12-7-1-2-9(8(13)5-7)16-11(18)17-10-6-14-3-4-15-10/h1-6H,(H2,15,16,17,18)
InChIKeyCZYNXEKOQGDFAP-UHFFFAOYSA-N
MW250.21 g/mol
LogP2.40
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea

1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea (PubChem CID 970790) has the molecular formula C11H8F2N4O and a molecular weight of 250.21 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea
PubChem CID970790
Molecular FormulaC11H8F2N4O
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1ccc(F)cc1F
InChIInChI=1S/C11H8F2N4O/c12-7-1-2-9(8(13)5-7)16-11(18)17-10-6-14-3-4-15-10/h1-6H,(H2,15,16,17,18)
InChIKeyCZYNXEKOQGDFAP-UHFFFAOYSA-N
XLogP2.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea
CID 110492640
1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea
CID 63062599
(2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide
CID 42561688
1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea
CID 108893864
1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620412
1-(2-chlorophenyl)-3-pyrazin-2-ylurea
CID 5078272
3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104740538
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea
CID 10016910

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea (CID 970790) is 1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea is O=C(Nc1cnccn1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea?
The InChIKey is CZYNXEKOQGDFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O/c12-7-1-2-9(8(13)5-7)16-11(18)17-10-6-14-3-4-15-10/h1-6H,(H2,15,16,17,18).
What are the key properties of 1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea?
1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea has a molecular weight of 250.21 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 970790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).