1-(3-chlorophenyl)-3-pyrimidin-2-ylurea

C11H9ClN4O — CID 840362

IUPAC1-(3-chlorophenyl)-3-pyrimidin-2-ylurea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ncccn1
InChIInChI=1S/C11H9ClN4O/c12-8-3-1-4-9(7-8)15-11(17)16-10-13-5-2-6-14-10/h1-7H,(H2,13,14,15,16,17)
InChIKeyLQRAHKARGZOZSN-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.77
Rot. Bonds2

About 1-(3-chlorophenyl)-3-pyrimidin-2-ylurea

1-(3-chlorophenyl)-3-pyrimidin-2-ylurea (PubChem CID 840362) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-pyrimidin-2-ylurea
PubChem CID840362
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name1-(3-chlorophenyl)-3-pyrimidin-2-ylurea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ncccn1
InChIInChI=1S/C11H9ClN4O/c12-8-3-1-4-9(7-8)15-11(17)16-10-13-5-2-6-14-10/h1-7H,(H2,13,14,15,16,17)
InChIKeyLQRAHKARGZOZSN-UHFFFAOYSA-N
XLogP2.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-pyrimidin-2-ylurea?
The IUPAC name of 1-(3-chlorophenyl)-3-pyrimidin-2-ylurea (CID 840362) is 1-(3-chlorophenyl)-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-(3-chlorophenyl)-3-pyrimidin-2-ylurea is O=C(Nc1cccc(Cl)c1)Nc1ncccn1.
What is the InChIKey of 1-(3-chlorophenyl)-3-pyrimidin-2-ylurea?
The InChIKey is LQRAHKARGZOZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-8-3-1-4-9(7-8)15-11(17)16-10-13-5-2-6-14-10/h1-7H,(H2,13,14,15,16,17).
What are the key properties of 1-(3-chlorophenyl)-3-pyrimidin-2-ylurea?
1-(3-chlorophenyl)-3-pyrimidin-2-ylurea has a molecular weight of 248.67 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-pyrimidin-2-ylurea is sourced from PubChem (CID 840362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).