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

C26H25N5O2 — CID 122287304

IUPACN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)n1
InChIInChI=1S/C26H25N5O2/c1-18-17-24(31(2)3)30-26(27-18)29-21-13-11-20(12-14-21)28-25(32)19-9-15-23(16-10-19)33-22-7-5-4-6-8-22/h4-17H,1-3H3,(H,28,32)(H,27,29,30)
InChIKeyXEPXWZLZVYTZEA-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.64
Rot. Bonds7

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

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide (PubChem CID 122287304) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide
PubChem CID122287304
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)n1
InChIInChI=1S/C26H25N5O2/c1-18-17-24(31(2)3)30-26(27-18)29-21-13-11-20(12-14-21)28-25(32)19-9-15-23(16-10-19)33-22-7-5-4-6-8-22/h4-17H,1-3H3,(H,28,32)(H,27,29,30)
InChIKeyXEPXWZLZVYTZEA-UHFFFAOYSA-N
XLogP5.64
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-ethoxybenzamide
CID 46362597
N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-4-phenoxybenzamide
CID 122296113
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide
CID 27537410
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide
CID 18566738
4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine
CID 90770232
3-cyano-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
CID 122287309
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,4-dimethylbenzamide
CID 121032306
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 122287302
N-[6-(dimethylamino)-3-pyridinyl]-4-phenoxybenzamide
CID 30273384
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethoxy)benzamide
CID 122287334
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-4-butoxybenzamide
CID 27621694
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide (CID 122287304) is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide is Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)n1.
What is the InChIKey of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide?
The InChIKey is XEPXWZLZVYTZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-18-17-24(31(2)3)30-26(27-18)29-21-13-11-20(12-14-21)28-25(32)19-9-15-23(16-10-19)33-22-7-5-4-6-8-22/h4-17H,1-3H3,(H,28,32)(H,27,29,30).
What are the key properties of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide?
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide has a molecular weight of 439.52 g/mol, XLogP of 5.64, 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]-4-phenoxybenzamide is sourced from PubChem (CID 122287304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).