N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide

C17H22N4OS — CID 110117355

IUPACN-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCc1ncc(CNC(=O)Cc2ccsc2)c(C2CCCN2C)n1
InChIInChI=1S/C17H22N4OS/c1-12-18-9-14(17(20-12)15-4-3-6-21(15)2)10-19-16(22)8-13-5-7-23-11-13/h5,7,9,11,15H,3-4,6,8,10H2,1-2H3,(H,19,22)
InChIKeyHHYZPSXIQFREOX-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.47
Rot. Bonds5

About N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide

N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 110117355) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID110117355
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCc1ncc(CNC(=O)Cc2ccsc2)c(C2CCCN2C)n1
InChIInChI=1S/C17H22N4OS/c1-12-18-9-14(17(20-12)15-4-3-6-21(15)2)10-19-16(22)8-13-5-7-23-11-13/h5,7,9,11,15H,3-4,6,8,10H2,1-2H3,(H,19,22)
InChIKeyHHYZPSXIQFREOX-UHFFFAOYSA-N
XLogP2.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide (CID 110117355) is N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide is Cc1ncc(CNC(=O)Cc2ccsc2)c(C2CCCN2C)n1.
What is the InChIKey of N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is HHYZPSXIQFREOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-18-9-14(17(20-12)15-4-3-6-21(15)2)10-19-16(22)8-13-5-7-23-11-13/h5,7,9,11,15H,3-4,6,8,10H2,1-2H3,(H,19,22).
What are the key properties of N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide?
N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 330.46 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 110117355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).