1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea

C10H8ClN5O — CID 108893898

IUPAC1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1cc(Cl)ccn1
InChIInChI=1S/C10H8ClN5O/c11-7-1-2-13-8(5-7)15-10(17)16-9-6-12-3-4-14-9/h1-6H,(H2,13,14,15,16,17)
InChIKeyODKCMUDLRYPNCM-UHFFFAOYSA-N
MW249.66 g/mol
LogP2.17
Rot. Bonds2

About 1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea

1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea (PubChem CID 108893898) has the molecular formula C10H8ClN5O and a molecular weight of 249.66 g/mol. Its IUPAC name is 1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea
PubChem CID108893898
Molecular FormulaC10H8ClN5O
Molecular Weight249.66 g/mol
Exact Mass249.04
IUPAC Name1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1cc(Cl)ccn1
InChIInChI=1S/C10H8ClN5O/c11-7-1-2-13-8(5-7)15-10(17)16-9-6-12-3-4-14-9/h1-6H,(H2,13,14,15,16,17)
InChIKeyODKCMUDLRYPNCM-UHFFFAOYSA-N
XLogP2.17
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
1-(2-chlorophenyl)-3-pyrazin-2-ylurea
CID 5078272
1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea
CID 108866515
2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide
CID 127120451
1-(4-tert-butylphenyl)-3-(4-chloro-2-pyridinyl)urea
CID 108884932
1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea
CID 110492610
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
1-(4-chloro-2-pyridinyl)-3-cyclopentylurea
CID 108902776
2-amino-4-chloro-N-pyrazin-2-ylbenzamide
CID 43616024
2-bromo-4-chloro-N-pyrazin-2-ylbenzamide
CID 104853699
1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea
CID 24859295
1-(3-bromophenyl)-3-pyrazin-2-ylurea
CID 110492436

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea (CID 108893898) is 1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea is O=C(Nc1cnccn1)Nc1cc(Cl)ccn1.
What is the InChIKey of 1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea?
The InChIKey is ODKCMUDLRYPNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O/c11-7-1-2-13-8(5-7)15-10(17)16-9-6-12-3-4-14-9/h1-6H,(H2,13,14,15,16,17).
What are the key properties of 1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea?
1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea has a molecular weight of 249.66 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 108893898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).