N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide

C28H29N5O — CID 18566738

IUPACN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)n1
InChIInChI=1S/C28H29N5O/c1-4-33(5-2)26-19-20(3)29-28(32-26)31-25-17-15-24(16-18-25)30-27(34)23-13-11-22(12-14-23)21-9-7-6-8-10-21/h6-19H,4-5H2,1-3H3,(H,30,34)(H,29,31,32)
InChIKeyAJJCDSVADUQRPJ-UHFFFAOYSA-N
MW451.57 g/mol
LogP6.29
Rot. Bonds8

About N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide

N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide (PubChem CID 18566738) has the molecular formula C28H29N5O and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide
PubChem CID18566738
Molecular FormulaC28H29N5O
Molecular Weight451.57 g/mol
Exact Mass451.24
IUPAC NameN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)n1
InChIInChI=1S/C28H29N5O/c1-4-33(5-2)26-19-20(3)29-28(32-26)31-25-17-15-24(16-18-25)30-27(34)23-13-11-22(12-14-23)21-9-7-6-8-10-21/h6-19H,4-5H2,1-3H3,(H,30,34)(H,29,31,32)
InChIKeyAJJCDSVADUQRPJ-UHFFFAOYSA-N
XLogP6.29
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoro-4-methoxybenzamide
CID 122288395
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(trifluoromethoxy)benzamide
CID 122288391
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide
CID 122287304
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-ethoxybenzamide
CID 46362597
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122288400
N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112924147
2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 122288252
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-(1,3-dioxoisoindol-2-yl)butanamide
CID 122288373
N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-4-phenoxybenzamide
CID 122296113
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122288428
(2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 122288447

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide (CID 18566738) is N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide is CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)n1.
What is the InChIKey of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide?
The InChIKey is AJJCDSVADUQRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O/c1-4-33(5-2)26-19-20(3)29-28(32-26)31-25-17-15-24(16-18-25)30-27(34)23-13-11-22(12-14-23)21-9-7-6-8-10-21/h6-19H,4-5H2,1-3H3,(H,30,34)(H,29,31,32).
What are the key properties of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide?
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide has a molecular weight of 451.57 g/mol, XLogP of 6.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 18566738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).