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

C20H26N4O2 — CID 110095556

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide
SMILESCc1ncc(CNC(=O)CCOc2ccccc2)c(C2CCCN2C)n1
InChIInChI=1S/C20H26N4O2/c1-15-21-13-16(20(23-15)18-9-6-11-24(18)2)14-22-19(25)10-12-26-17-7-4-3-5-8-17/h3-5,7-8,13,18H,6,9-12,14H2,1-2H3,(H,22,25)
InChIKeyXYDWYOQYVTXWEV-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.64
Rot. Bonds7

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

N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide (PubChem CID 110095556) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide
PubChem CID110095556
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide
SMILESCc1ncc(CNC(=O)CCOc2ccccc2)c(C2CCCN2C)n1
InChIInChI=1S/C20H26N4O2/c1-15-21-13-16(20(23-15)18-9-6-11-24(18)2)14-22-19(25)10-12-26-17-7-4-3-5-8-17/h3-5,7-8,13,18H,6,9-12,14H2,1-2H3,(H,22,25)
InChIKeyXYDWYOQYVTXWEV-UHFFFAOYSA-N
XLogP2.64
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.64
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]-3-phenoxypropanamide?
The IUPAC name of N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide (CID 110095556) is N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide?
The canonical SMILES for N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide is Cc1ncc(CNC(=O)CCOc2ccccc2)c(C2CCCN2C)n1.
What is the InChIKey of N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide?
The InChIKey is XYDWYOQYVTXWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-21-13-16(20(23-15)18-9-6-11-24(18)2)14-22-19(25)10-12-26-17-7-4-3-5-8-17/h3-5,7-8,13,18H,6,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide?
N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide has a molecular weight of 354.45 g/mol, XLogP of 2.64, 7 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]-3-phenoxypropanamide is sourced from PubChem (CID 110095556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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