[6-(2,6-dichlorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-yl]urea

C15H11Cl2N5O3S — CID 69192777

IUPAC[6-(2,6-dichlorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-yl]urea
SMILESCS(=O)(=O)c1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(N)=O)nc2n1
InChIInChI=1S/C15H11Cl2N5O3S/c1-26(24,25)15-19-6-7-5-8(11-9(16)3-2-4-10(11)17)13(21-14(18)23)20-12(7)22-15/h2-6H,1H3,(H3,18,19,20,21,22,23)
InChIKeyATGRYPDAMRSHBY-UHFFFAOYSA-N
MW412.26 g/mol
LogP2.89
Rot. Bonds3

About [6-(2,6-dichlorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-yl]urea

[6-(2,6-dichlorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-yl]urea (PubChem CID 69192777) has the molecular formula C15H11Cl2N5O3S and a molecular weight of 412.26 g/mol. Its IUPAC name is [6-(2,6-dichlorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-yl]urea.

Molecular Properties

Compound Name[6-(2,6-dichlorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-yl]urea
PubChem CID69192777
Molecular FormulaC15H11Cl2N5O3S
Molecular Weight412.26 g/mol
Exact Mass411.00
IUPAC Name[6-(2,6-dichlorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-yl]urea
SMILESCS(=O)(=O)c1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(N)=O)nc2n1
InChIInChI=1S/C15H11Cl2N5O3S/c1-26(24,25)15-19-6-7-5-8(11-9(16)3-2-4-10(11)17)13(21-14(18)23)20-12(7)22-15/h2-6H,1H3,(H3,18,19,20,21,22,23)
InChIKeyATGRYPDAMRSHBY-UHFFFAOYSA-N
XLogP2.89
TPSA127.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(2,6-dichlorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-yl]urea?
The IUPAC name of [6-(2,6-dichlorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-yl]urea (CID 69192777) is [6-(2,6-dichlorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-yl]urea.
What is the SMILES notation for [6-(2,6-dichlorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-yl]urea?
The canonical SMILES for [6-(2,6-dichlorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-yl]urea is CS(=O)(=O)c1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(N)=O)nc2n1.
What is the InChIKey of [6-(2,6-dichlorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-yl]urea?
The InChIKey is ATGRYPDAMRSHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O3S/c1-26(24,25)15-19-6-7-5-8(11-9(16)3-2-4-10(11)17)13(21-14(18)23)20-12(7)22-15/h2-6H,1H3,(H3,18,19,20,21,22,23).
What are the key properties of [6-(2,6-dichlorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-yl]urea?
[6-(2,6-dichlorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-yl]urea has a molecular weight of 412.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,6-dichlorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-yl]urea is sourced from PubChem (CID 69192777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).