4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide

C24H35N5O — CID 23026713

IUPAC4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide
SMILESCCCCc1ccc(C(=O)NC2CCC(Nc3nc(C)cc(N(C)C)n3)CC2)cc1
InChIInChI=1S/C24H35N5O/c1-5-6-7-18-8-10-19(11-9-18)23(30)26-20-12-14-21(15-13-20)27-24-25-17(2)16-22(28-24)29(3)4/h8-11,16,20-21H,5-7,12-15H2,1-4H3,(H,26,30)(H,25,27,28)
InChIKeyDECXRAQJSRFTKB-UHFFFAOYSA-N
MW409.58 g/mol
LogP4.35
Rot. Bonds8

About 4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide

4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide (PubChem CID 23026713) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is 4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide
PubChem CID23026713
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC Name4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide
SMILESCCCCc1ccc(C(=O)NC2CCC(Nc3nc(C)cc(N(C)C)n3)CC2)cc1
InChIInChI=1S/C24H35N5O/c1-5-6-7-18-8-10-19(11-9-18)23(30)26-20-12-14-21(15-13-20)27-24-25-17(2)16-22(28-24)29(3)4/h8-11,16,20-21H,5-7,12-15H2,1-4H3,(H,26,30)(H,25,27,28)
InChIKeyDECXRAQJSRFTKB-UHFFFAOYSA-N
XLogP4.35
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide
CID 23027786
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methylbenzamide
CID 45485077
2-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide;hydrochloride
CID 174489620
4-bromo-N-[4-[[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]methyl]cyclohexyl]benzamide
CID 23027326
4-butyl-N-cyclopentylbenzamide
CID 60674795
N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide
CID 23027828
N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride
CID 23027827
5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
CID 3967282
1-(3,4-difluorophenyl)-3-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-1-methylurea
CID 91038115
2-butyl-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-dihydroxybenzamide
CID 175245193
N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide
CID 23026609
1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide
CID 23027648

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide?
The IUPAC name of 4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide (CID 23026713) is 4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide.
What is the SMILES notation for 4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide?
The canonical SMILES for 4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide is CCCCc1ccc(C(=O)NC2CCC(Nc3nc(C)cc(N(C)C)n3)CC2)cc1.
What is the InChIKey of 4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide?
The InChIKey is DECXRAQJSRFTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c1-5-6-7-18-8-10-19(11-9-18)23(30)26-20-12-14-21(15-13-20)27-24-25-17(2)16-22(28-24)29(3)4/h8-11,16,20-21H,5-7,12-15H2,1-4H3,(H,26,30)(H,25,27,28).
What are the key properties of 4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide?
4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide has a molecular weight of 409.58 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 23026713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).