N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxyacetamide

C23H25N5O2 — CID 18566669

IUPACN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxyacetamide
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)COc3ccccc3)cc2)n1
InChIInChI=1S/C23H25N5O2/c1-17-15-21(28-13-5-6-14-28)27-23(24-17)26-19-11-9-18(10-12-19)25-22(29)16-30-20-7-3-2-4-8-20/h2-4,7-12,15H,5-6,13-14,16H2,1H3,(H,25,29)(H,24,26,27)
InChIKeySXXQSUJBNNNBRY-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.15
Rot. Bonds7

About N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxyacetamide

N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxyacetamide (PubChem CID 18566669) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxyacetamide
PubChem CID18566669
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxyacetamide
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)COc3ccccc3)cc2)n1
InChIInChI=1S/C23H25N5O2/c1-17-15-21(28-13-5-6-14-28)27-23(24-17)26-19-11-9-18(10-12-19)25-22(29)16-30-20-7-3-2-4-8-20/h2-4,7-12,15H,5-6,13-14,16H2,1H3,(H,25,29)(H,24,26,27)
InChIKeySXXQSUJBNNNBRY-UHFFFAOYSA-N
XLogP4.15
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxyacetamide (CID 18566669) is N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxyacetamide is Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)COc3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxyacetamide?
The InChIKey is SXXQSUJBNNNBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-17-15-21(28-13-5-6-14-28)27-23(24-17)26-19-11-9-18(10-12-19)25-22(29)16-30-20-7-3-2-4-8-20/h2-4,7-12,15H,5-6,13-14,16H2,1H3,(H,25,29)(H,24,26,27).
What are the key properties of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxyacetamide?
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxyacetamide has a molecular weight of 403.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 18566669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).