N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide

C21H27F2N5O — CID 23027828

IUPACN-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide
SMILESCCc1cc(N(C)C)nc(NC2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C21H27F2N5O/c1-4-14-12-19(28(2)3)27-21(25-14)26-16-8-6-15(7-9-16)24-20(29)13-5-10-17(22)18(23)11-13/h5,10-12,15-16H,4,6-9H2,1-3H3,(H,24,29)(H,25,26,27)
InChIKeyZIDPFVVSXZSNSZ-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.54
Rot. Bonds6

About N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide

N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide (PubChem CID 23027828) has the molecular formula C21H27F2N5O and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide
PubChem CID23027828
Molecular FormulaC21H27F2N5O
Molecular Weight403.48 g/mol
Exact Mass403.22
IUPAC NameN-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide
SMILESCCc1cc(N(C)C)nc(NC2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C21H27F2N5O/c1-4-14-12-19(28(2)3)27-21(25-14)26-16-8-6-15(7-9-16)24-20(29)13-5-10-17(22)18(23)11-13/h5,10-12,15-16H,4,6-9H2,1-3H3,(H,24,29)(H,25,26,27)
InChIKeyZIDPFVVSXZSNSZ-UHFFFAOYSA-N
XLogP3.54
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide with MolForge

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Related Compounds

N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride
CID 23027827
N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride
CID 23027394
4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide
CID 23026713
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methylbenzamide
CID 45485077
1-(3,4-difluorophenyl)-3-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-1-methylurea
CID 91038115
N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide
CID 23026609
N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide
CID 23027256
3,4-dichloro-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]benzamide
CID 23026777
N-(4-cyanocyclohexyl)-3,4-difluorobenzamide
CID 115270179
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-9,10-dioxoanthracene-2-carboxamide
CID 141223961
2-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide;hydrochloride
CID 174489620
5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide
CID 23027786

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide (CID 23027828) is N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide is CCc1cc(N(C)C)nc(NC2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)n1.
What is the InChIKey of N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide?
The InChIKey is ZIDPFVVSXZSNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N5O/c1-4-14-12-19(28(2)3)27-21(25-14)26-16-8-6-15(7-9-16)24-20(29)13-5-10-17(22)18(23)11-13/h5,10-12,15-16H,4,6-9H2,1-3H3,(H,24,29)(H,25,26,27).
What are the key properties of N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide?
N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide has a molecular weight of 403.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide is sourced from PubChem (CID 23027828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).