N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylacetamide

C25H29ClN6O2 — CID 22353370

IUPACN-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylacetamide
SMILESCC(=O)NCCNc1nc(-c2ccc(Cl)cc2)nc(NCCNC(=O)Cc2ccccc2)c1C
InChIInChI=1S/C25H29ClN6O2/c1-17-23(29-14-12-27-18(2)33)31-25(20-8-10-21(26)11-9-20)32-24(17)30-15-13-28-22(34)16-19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3,(H,27,33)(H,28,34)(H2,29,30,31,32)
InChIKeyAJFBHTMCKVOXMZ-UHFFFAOYSA-N
MW481.00 g/mol
LogP3.42
Rot. Bonds11

About N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylacetamide

N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylacetamide (PubChem CID 22353370) has the molecular formula C25H29ClN6O2 and a molecular weight of 481.00 g/mol. Its IUPAC name is N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylacetamide
PubChem CID22353370
Molecular FormulaC25H29ClN6O2
Molecular Weight481.00 g/mol
Exact Mass480.20
IUPAC NameN-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylacetamide
SMILESCC(=O)NCCNc1nc(-c2ccc(Cl)cc2)nc(NCCNC(=O)Cc2ccccc2)c1C
InChIInChI=1S/C25H29ClN6O2/c1-17-23(29-14-12-27-18(2)33)31-25(20-8-10-21(26)11-9-20)32-24(17)30-15-13-28-22(34)16-19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3,(H,27,33)(H,28,34)(H2,29,30,31,32)
InChIKeyAJFBHTMCKVOXMZ-UHFFFAOYSA-N
XLogP3.42
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 22353265
N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 22378882
N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 22378817
N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-3-carboxamide
CID 22379232
N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]-2-(4-methylphenyl)acetamide
CID 22353521
N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]-2-(2-methylphenyl)acetamide
CID 22353297
N-[2-[[6-chloro-5-methyl-2-(4-methylphenyl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 142259333
N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenylpyrimidin-4-yl]amino]ethyl]-4-methylsulfonylbenzamide
CID 22378852
N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-3-(2,3,4-trifluorophenyl)prop-2-enamide
CID 68535317
(E)-N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-3-(2,3,4-trifluorophenyl)prop-2-enamide
CID 68535310
(E)-N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenylpyrimidin-4-yl]amino]ethyl]-3-phenylprop-2-enamide
CID 22378945
N-[2-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]-4-chlorobenzamide
CID 22378999

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylacetamide (CID 22353370) is N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylacetamide is CC(=O)NCCNc1nc(-c2ccc(Cl)cc2)nc(NCCNC(=O)Cc2ccccc2)c1C.
What is the InChIKey of N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylacetamide?
The InChIKey is AJFBHTMCKVOXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O2/c1-17-23(29-14-12-27-18(2)33)31-25(20-8-10-21(26)11-9-20)32-24(17)30-15-13-28-22(34)16-19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3,(H,27,33)(H,28,34)(H2,29,30,31,32).
What are the key properties of N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylacetamide?
N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylacetamide has a molecular weight of 481.00 g/mol, XLogP of 3.42, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 22353370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).