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

C23H27N7O3S — CID 139510074

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-2-methylpropanamide
SMILESCN(C)c1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C23H27N7O3S/c1-23(2,19-11-12-25-22(28-19)29-34(32,33)17-9-10-17)21(31)26-16-7-5-15(6-8-16)18-13-24-14-20(27-18)30(3)4/h5-8,11-14,17H,9-10H2,1-4H3,(H,26,31)(H,25,28,29)
InChIKeyIOWIDXGMIDTUOM-UHFFFAOYSA-N
MW481.58 g/mol
LogP2.82
Rot. Bonds8

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

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-2-methylpropanamide (PubChem CID 139510074) has the molecular formula C23H27N7O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-2-methylpropanamide
PubChem CID139510074
Molecular FormulaC23H27N7O3S
Molecular Weight481.58 g/mol
Exact Mass481.19
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-2-methylpropanamide
SMILESCN(C)c1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C23H27N7O3S/c1-23(2,19-11-12-25-22(28-19)29-34(32,33)17-9-10-17)21(31)26-16-7-5-15(6-8-16)18-13-24-14-20(27-18)30(3)4/h5-8,11-14,17H,9-10H2,1-4H3,(H,26,31)(H,25,28,29)
InChIKeyIOWIDXGMIDTUOM-UHFFFAOYSA-N
XLogP2.82
TPSA130.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 52.82
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-(dimethylamino)pyrazin-2-yl]phenyl]-2-methylpropanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-2-methylpropanamide (CID 139510074) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-2-methylpropanamide is CN(C)c1cncc(-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-(dimethylamino)pyrazin-2-yl]phenyl]-2-methylpropanamide?
The InChIKey is IOWIDXGMIDTUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3S/c1-23(2,19-11-12-25-22(28-19)29-34(32,33)17-9-10-17)21(31)26-16-7-5-15(6-8-16)18-13-24-14-20(27-18)30(3)4/h5-8,11-14,17H,9-10H2,1-4H3,(H,26,31)(H,25,28,29).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-2-methylpropanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-2-methylpropanamide has a molecular weight of 481.58 g/mol, XLogP of 2.82, 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-(dimethylamino)pyrazin-2-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 139510074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).