2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide

C22H24N6O4S — CID 139503392

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide
SMILESCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C22H24N6O4S/c1-22(2,18-10-11-24-21(27-18)28-33(30,31)16-8-9-16)20(29)25-15-6-4-14(5-7-15)17-12-23-13-19(26-17)32-3/h4-7,10-13,16H,8-9H2,1-3H3,(H,25,29)(H,24,27,28)
InChIKeyADHWQVLDAUKTNT-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.76
Rot. Bonds8

About 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide (PubChem CID 139503392) has the molecular formula C22H24N6O4S and a molecular weight of 468.54 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide
PubChem CID139503392
Molecular FormulaC22H24N6O4S
Molecular Weight468.54 g/mol
Exact Mass468.16
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide
SMILESCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C22H24N6O4S/c1-22(2,18-10-11-24-21(27-18)28-33(30,31)16-8-9-16)20(29)25-15-6-4-14(5-7-15)17-12-23-13-19(26-17)32-3/h4-7,10-13,16H,8-9H2,1-3H3,(H,25,29)(H,24,27,28)
InChIKeyADHWQVLDAUKTNT-UHFFFAOYSA-N
XLogP2.76
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide (CID 139503392) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide is COc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is ADHWQVLDAUKTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4S/c1-22(2,18-10-11-24-21(27-18)28-33(30,31)16-8-9-16)20(29)25-15-6-4-14(5-7-15)17-12-23-13-19(26-17)32-3/h4-7,10-13,16H,8-9H2,1-3H3,(H,25,29)(H,24,27,28).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 468.54 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 139503392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).