4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide

C20H26BrN5O — CID 23027283

IUPAC4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide
SMILESCc1cnc(NC2CCC(NC(=O)c3ccc(Br)cc3)CC2)nc1N(C)C
InChIInChI=1S/C20H26BrN5O/c1-13-12-22-20(25-18(13)26(2)3)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyGXEAUHLTCPXSMK-UHFFFAOYSA-N
MW432.37 g/mol
LogP3.77
Rot. Bonds5

About 4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide

4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide (PubChem CID 23027283) has the molecular formula C20H26BrN5O and a molecular weight of 432.37 g/mol. Its IUPAC name is 4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide
PubChem CID23027283
Molecular FormulaC20H26BrN5O
Molecular Weight432.37 g/mol
Exact Mass431.13
IUPAC Name4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide
SMILESCc1cnc(NC2CCC(NC(=O)c3ccc(Br)cc3)CC2)nc1N(C)C
InChIInChI=1S/C20H26BrN5O/c1-13-12-22-20(25-18(13)26(2)3)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyGXEAUHLTCPXSMK-UHFFFAOYSA-N
XLogP3.77
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.37
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide
CID 87995828
2-(3-bromophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-2-sulfinylacetamide
CID 174488794
2-(4-chlorophenyl)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 23027623
2-(2-bromophenoxy)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide
CID 23026734
3,4-dichloro-N-[4-[[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]methyl]cyclohexyl]benzamide
CID 23026897
1-(3,5-dichlorophenyl)-3-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]urea
CID 23027298
1-(3-chlorophenyl)-3-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-1-methylurea
CID 23026586
1-[1-(4-chlorophenyl)cyclopropyl]-3-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-1-methylurea
CID 23027849
2-(3,4-difluoro-N-methylanilino)-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 23026600
N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide
CID 23026609
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide?
The IUPAC name of 4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide (CID 23027283) is 4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide is Cc1cnc(NC2CCC(NC(=O)c3ccc(Br)cc3)CC2)nc1N(C)C.
What is the InChIKey of 4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide?
The InChIKey is GXEAUHLTCPXSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN5O/c1-13-12-22-20(25-18(13)26(2)3)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25).
What are the key properties of 4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide?
4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide has a molecular weight of 432.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 23027283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).