N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethylbenzamide

C22H31N5O — CID 68980447

IUPACN-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethylbenzamide
SMILESCCc1cccc(C(=O)NC2CCC(Nc3nc(N(C)C)ncc3C)CC2)c1
InChIInChI=1S/C22H31N5O/c1-5-16-7-6-8-17(13-16)21(28)25-19-11-9-18(10-12-19)24-20-15(2)14-23-22(26-20)27(3)4/h6-8,13-14,18-19H,5,9-12H2,1-4H3,(H,25,28)(H,23,24,26)
InChIKeyZODIYVJIXXEJKC-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.57
Rot. Bonds6

About N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethylbenzamide

N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethylbenzamide (PubChem CID 68980447) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethylbenzamide.

Molecular Properties

Compound NameN-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethylbenzamide
PubChem CID68980447
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethylbenzamide
SMILESCCc1cccc(C(=O)NC2CCC(Nc3nc(N(C)C)ncc3C)CC2)c1
InChIInChI=1S/C22H31N5O/c1-5-16-7-6-8-17(13-16)21(28)25-19-11-9-18(10-12-19)24-20-15(2)14-23-22(26-20)27(3)4/h6-8,13-14,18-19H,5,9-12H2,1-4H3,(H,25,28)(H,23,24,26)
InChIKeyZODIYVJIXXEJKC-UHFFFAOYSA-N
XLogP3.57
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid
CID 68978911
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide
CID 11574826
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methylbenzamide
CID 45485077
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
N-cyclopropyl-3-[[2-(3-ethylphenoxy)acetyl]amino]benzamide
CID 26993706
bis(N-cyclopropyl-3-methylbenzamide);ethane;methyl 4-ethylbenzoate
CID 143485132
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
3-chloro-N-[4-[[6-(dimethylamino)-2,5-dimethylpyrimidin-4-yl]amino]cyclohexyl]-4-fluorobenzamide;hydrochloride
CID 68977060
3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide
CID 63463700
4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide
CID 23027283
2-(3-bromophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-2-sulfinylacetamide
CID 174488794

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethylbenzamide?
The IUPAC name of N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethylbenzamide (CID 68980447) is N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethylbenzamide.
What is the SMILES notation for N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethylbenzamide?
The canonical SMILES for N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethylbenzamide is CCc1cccc(C(=O)NC2CCC(Nc3nc(N(C)C)ncc3C)CC2)c1.
What is the InChIKey of N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethylbenzamide?
The InChIKey is ZODIYVJIXXEJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-5-16-7-6-8-17(13-16)21(28)25-19-11-9-18(10-12-19)24-20-15(2)14-23-22(26-20)27(3)4/h6-8,13-14,18-19H,5,9-12H2,1-4H3,(H,25,28)(H,23,24,26).
What are the key properties of N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethylbenzamide?
N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethylbenzamide has a molecular weight of 381.52 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethylbenzamide is sourced from PubChem (CID 68980447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).