2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide

C22H25N5O2 — CID 122324837

IUPAC2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCNc1nc(C)cc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C22H25N5O2/c1-15-8-10-17(11-9-15)26-20-14-16(2)25-22(27-20)24-13-12-23-21(28)18-6-4-5-7-19(18)29-3/h4-11,14H,12-13H2,1-3H3,(H,23,28)(H2,24,25,26,27)
InChIKeyQKAIKAYBLUYFAL-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.69
Rot. Bonds8

About 2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide

2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide (PubChem CID 122324837) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide
PubChem CID122324837
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCNc1nc(C)cc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C22H25N5O2/c1-15-8-10-17(11-9-15)26-20-14-16(2)25-22(27-20)24-13-12-23-21(28)18-6-4-5-7-19(18)29-3/h4-11,14H,12-13H2,1-3H3,(H,23,28)(H2,24,25,26,27)
InChIKeyQKAIKAYBLUYFAL-UHFFFAOYSA-N
XLogP3.69
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide
CID 122324842
N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide
CID 122325017
2,5-dichloro-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]thiophene-3-carboxamide
CID 122325148
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 121075061
2-(4-methoxy-3-methylphenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 122325097
1-(3,4-dimethoxyphenyl)-3-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]urea
CID 122325232
2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 121075015
7-methoxy-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-1-benzofuran-2-carboxamide
CID 122294604
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122294680
3-fluoro-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 121075077
2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 50945981
4-tert-butyl-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 121075067

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide (CID 122324837) is 2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide is COc1ccccc1C(=O)NCCNc1nc(C)cc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide?
The InChIKey is QKAIKAYBLUYFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-8-10-17(11-9-15)26-20-14-16(2)25-22(27-20)24-13-12-23-21(28)18-6-4-5-7-19(18)29-3/h4-11,14H,12-13H2,1-3H3,(H,23,28)(H2,24,25,26,27).
What are the key properties of 2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide?
2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide has a molecular weight of 391.48 g/mol, XLogP of 3.69, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 122324837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).