2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

C20H23N7OS — CID 57428369

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESCN(C)C1CCN(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccccn3)n2)C1
InChIInChI=1S/C20H23N7OS/c1-26(2)14-6-9-27(12-14)13-18(28)24-17-11-16(20-22-8-10-29-20)23-19(25-17)15-5-3-4-7-21-15/h3-5,7-8,10-11,14H,6,9,12-13H2,1-2H3,(H,23,24,25,28)
InChIKeyLIZMPUVMJQYFEP-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.24
Rot. Bonds6

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 57428369) has the molecular formula C20H23N7OS and a molecular weight of 409.52 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
PubChem CID57428369
Molecular FormulaC20H23N7OS
Molecular Weight409.52 g/mol
Exact Mass409.17
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESCN(C)C1CCN(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccccn3)n2)C1
InChIInChI=1S/C20H23N7OS/c1-26(2)14-6-9-27(12-14)13-18(28)24-17-11-16(20-22-8-10-29-20)23-19(25-17)15-5-3-4-7-21-15/h3-5,7-8,10-11,14H,6,9,12-13H2,1-2H3,(H,23,24,25,28)
InChIKeyLIZMPUVMJQYFEP-UHFFFAOYSA-N
XLogP2.24
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (CID 57428369) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is CN(C)C1CCN(CC(=O)Nc2cc(-c3nccs3)nc(-c3ccccn3)n2)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The InChIKey is LIZMPUVMJQYFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7OS/c1-26(2)14-6-9-27(12-14)13-18(28)24-17-11-16(20-22-8-10-29-20)23-19(25-17)15-5-3-4-7-21-15/h3-5,7-8,10-11,14H,6,9,12-13H2,1-2H3,(H,23,24,25,28).
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 409.52 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 57428369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).