6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine)

C46H58Cl2N10O8S — CID 158256640

About 6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine)

6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine) (PubChem CID 158256640) has the molecular formula C46H58Cl2N10O8S and a molecular weight of 982.00 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine).

Molecular Properties

• Compound Name: 6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine)
• PubChem CID: 158256640
• Molecular Formula: C46H58Cl2N10O8S
• Molecular Weight: 982.00 g/mol
• Exact Mass: 980.35
• IUPAC Name: 6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine)
• SMILES: CNC1CCCO1.Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC3CCCO3)nc21.Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(S(C)(=O)=O)nc21.NC1CCCO1.NC1CCCO1
• InChI: InChI=1S/C18H17ClN4O2.C15H12ClN3O3S.C5H11NO.2C4H9NO/c1-23-16-11(10-20-18(22-16)21-15-7-4-8-25-15)9-13(17(23)24)12-5-2-3-6-14(12)19;1-19-13-9(8-17-15(18-13)23(2,21)22)7-11(14(19)20)10-5-3-4-6-12(10)16;1-6-5-3-2-4-7-5;2*5-4-2-1-3-6-4/h2-3,5-6,9-10,15H,4,7-8H2,1H3,(H,20,21,22);3-8H,1-2H3;5-6H,2-4H2,1H3;2*4H,1-3,5H2
• InChIKey: GHJCARRKLQXTPQ-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 242.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	982.00
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine)?

The IUPAC name of 6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine) (CID 158256640) is 6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine).

What is the SMILES notation for 6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine)?

The canonical SMILES for 6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine) is CNC1CCCO1.Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC3CCCO3)nc21.Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(S(C)(=O)=O)nc21.NC1CCCO1.NC1CCCO1.

What is the InChIKey of 6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine)?

The InChIKey is GHJCARRKLQXTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2.C15H12ClN3O3S.C5H11NO.2C4H9NO/c1-23-16-11(10-20-18(22-16)21-15-7-4-8-25-15)9-13(17(23)24)12-5-2-3-6-14(12)19;1-19-13-9(8-17-15(18-13)23(2,21)22)7-11(14(19)20)10-5-3-4-6-12(10)16;1-6-5-3-2-4-7-5;2*5-4-2-1-3-6-4/h2-3,5-6,9-10,15H,4,7-8H2,1H3,(H,20,21,22);3-8H,1-2H3;5-6H,2-4H2,1H3;2*4H,1-3,5H2.

What are the key properties of 6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine)?

6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine) has a molecular weight of 982.00 g/mol, XLogP of 5.76, 6 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine) is sourced from PubChem (CID 158256640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).