2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide

C20H22N6O — CID 122314928

IUPAC2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide
SMILESCc1nc(NCCNC(=O)c2ccccc2C)cc(Nc2ccccn2)n1
InChIInChI=1S/C20H22N6O/c1-14-7-3-4-8-16(14)20(27)23-12-11-22-18-13-19(25-15(2)24-18)26-17-9-5-6-10-21-17/h3-10,13H,11-12H2,1-2H3,(H,23,27)(H2,21,22,24,25,26)
InChIKeyCZVXFXNXPXGLFC-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.07
Rot. Bonds7

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

2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide (PubChem CID 122314928) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide
PubChem CID122314928
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide
SMILESCc1nc(NCCNC(=O)c2ccccc2C)cc(Nc2ccccn2)n1
InChIInChI=1S/C20H22N6O/c1-14-7-3-4-8-16(14)20(27)23-12-11-22-18-13-19(25-15(2)24-18)26-17-9-5-6-10-21-17/h3-10,13H,11-12H2,1-2H3,(H,23,27)(H2,21,22,24,25,26)
InChIKeyCZVXFXNXPXGLFC-UHFFFAOYSA-N
XLogP3.07
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.07
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

3-fluoro-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]pyridine-4-carboxamide
CID 122315229
2-methoxy-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122314926
1-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-3-phenylpyrazole-5-carboxamide
CID 122315086
2-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56699359
2-(4-methoxy-3-methylphenyl)-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122315168
N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-4-thiophen-2-ylbenzamide
CID 122315171
1-(4-ethylphenyl)-3-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]urea
CID 122314995
2-(difluoromethylsulfanyl)-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122315569
N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122315126
1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-oxopyridine-3-carboxamide
CID 122315497
2,4-dichloro-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122315358
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-iodobenzamide
CID 121074596

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide (CID 122314928) is 2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide is Cc1nc(NCCNC(=O)c2ccccc2C)cc(Nc2ccccn2)n1.
What is the InChIKey of 2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide?
The InChIKey is CZVXFXNXPXGLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-7-3-4-8-16(14)20(27)23-12-11-22-18-13-19(25-15(2)24-18)26-17-9-5-6-10-21-17/h3-10,13H,11-12H2,1-2H3,(H,23,27)(H2,21,22,24,25,26).
What are the key properties of 2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide?
2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide has a molecular weight of 362.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide is sourced from PubChem (CID 122314928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).