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

C23H25N5O2 — CID 121090371

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

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

N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide (PubChem CID 121090371) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
PubChem CID121090371
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
SMILESCc1cc(Nc2ccc(NC(=O)COc3ccccc3)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C23H25N5O2/c1-17-15-21(27-23(24-17)28-13-5-6-14-28)25-18-9-11-19(12-10-18)26-22(29)16-30-20-7-3-2-4-8-20/h2-4,7-12,15H,5-6,13-14,16H2,1H3,(H,26,29)(H,24,25,27)
InChIKeyVRYRCSRHOWZJNL-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

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

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Related Compounds

2-(4-methoxyphenoxy)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122295632
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide
CID 122295935
2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 121090418
1-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenoxyethanone
CID 18566510
benzyl N-[2-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]anilino]-2-oxoethyl]carbamate
CID 122295713
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-methylphenoxy)acetamide
CID 122326025
2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122325940
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 122297260
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 122352239
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122295755
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 72718308
4-(1,3-dioxoisoindol-2-yl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide
CID 122295907

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide (CID 121090371) is N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide is Cc1cc(Nc2ccc(NC(=O)COc3ccccc3)cc2)nc(N2CCCC2)n1.
What is the InChIKey of N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide?
The InChIKey is VRYRCSRHOWZJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-17-15-21(27-23(24-17)28-13-5-6-14-28)25-18-9-11-19(12-10-18)26-22(29)16-30-20-7-3-2-4-8-20/h2-4,7-12,15H,5-6,13-14,16H2,1H3,(H,26,29)(H,24,25,27).
What are the key properties of N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide?
N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-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-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 121090371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).