2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

C22H24N4O2 — CID 100779285

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-14-13-15(2)24-22(23-14)26-20-8-6-5-7-19(20)21(27)25-16(3)17-9-11-18(28-4)12-10-17/h5-13,16H,1-4H3,(H,25,27)(H,23,24,26)/t16-/m0/s1
InChIKeyNSUMSIHEGOTJQG-INIZCTEOSA-N
MW376.46 g/mol
LogP4.34
Rot. Bonds6

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 100779285) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID100779285
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-14-13-15(2)24-22(23-14)26-20-8-6-5-7-19(20)21(27)25-16(3)17-9-11-18(28-4)12-10-17/h5-13,16H,1-4H3,(H,25,27)(H,23,24,26)/t16-/m0/s1
InChIKeyNSUMSIHEGOTJQG-INIZCTEOSA-N
XLogP4.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81368855
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pentan-2-ylbenzamide
CID 133254873
2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109328179
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592
2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 3389695
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 84580740
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 92683618
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 28560281
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 51557476
4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81230651
N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110462509

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (CID 100779285) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is COc1ccc([C@H](C)NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is NSUMSIHEGOTJQG-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-13-15(2)24-22(23-14)26-20-8-6-5-7-19(20)21(27)25-16(3)17-9-11-18(28-4)12-10-17/h5-13,16H,1-4H3,(H,25,27)(H,23,24,26)/t16-/m0/s1.
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 100779285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).