2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide

C24H28N6O4S — CID 139503377

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide
SMILESCC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C24H28N6O4S/c1-15(2)34-21-14-25-13-19(28-21)16-5-7-17(8-6-16)27-22(31)24(3,4)20-11-12-26-23(29-20)30-35(32,33)18-9-10-18/h5-8,11-15,18H,9-10H2,1-4H3,(H,27,31)(H,26,29,30)
InChIKeyWPVMRSYQBBXPNK-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.54
Rot. Bonds9

About 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide (PubChem CID 139503377) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide
PubChem CID139503377
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide
SMILESCC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C24H28N6O4S/c1-15(2)34-21-14-25-13-19(28-21)16-5-7-17(8-6-16)27-22(31)24(3,4)20-11-12-26-23(29-20)30-35(32,33)18-9-10-18/h5-8,11-15,18H,9-10H2,1-4H3,(H,27,31)(H,26,29,30)
InChIKeyWPVMRSYQBBXPNK-UHFFFAOYSA-N
XLogP3.54
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.54
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]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide (CID 139503377) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide is CC(C)Oc1cncc(-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]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide?
The InChIKey is WPVMRSYQBBXPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-15(2)34-21-14-25-13-19(28-21)16-5-7-17(8-6-16)27-22(31)24(3,4)20-11-12-26-23(29-20)30-35(32,33)18-9-10-18/h5-8,11-15,18H,9-10H2,1-4H3,(H,27,31)(H,26,29,30).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide has a molecular weight of 496.59 g/mol, XLogP of 3.54, 9 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]-2-methyl-N-[4-(6-propan-2-yloxypyrazin-2-yl)phenyl]propanamide is sourced from PubChem (CID 139503377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).