N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methoxyphenyl)acetamide

C22H25N5O2 — CID 44522251

IUPACN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1
InChIInChI=1S/C22H25N5O2/c1-15-13-20(27(2)3)26-22(23-15)25-18-9-7-17(8-10-18)24-21(28)14-16-5-11-19(29-4)12-6-16/h5-13H,14H2,1-4H3,(H,24,28)(H,23,25,26)
InChIKeyOIXWDGUZUQTXTQ-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.78
Rot. Bonds7

About N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methoxyphenyl)acetamide

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 44522251) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID44522251
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1
InChIInChI=1S/C22H25N5O2/c1-15-13-20(27(2)3)26-22(23-15)25-18-9-7-17(8-10-18)24-21(28)14-16-5-11-19(29-4)12-6-16/h5-13H,14H2,1-4H3,(H,24,28)(H,23,25,26)
InChIKeyOIXWDGUZUQTXTQ-UHFFFAOYSA-N
XLogP3.78
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methoxyphenyl)acetamide (CID 44522251) is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1.
What is the InChIKey of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is OIXWDGUZUQTXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-13-20(27(2)3)26-22(23-15)25-18-9-7-17(8-10-18)24-21(28)14-16-5-11-19(29-4)12-6-16/h5-13H,14H2,1-4H3,(H,24,28)(H,23,25,26).
What are the key properties of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methoxyphenyl)acetamide?
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 391.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 44522251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).