N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride

C19H24ClF2N5O — CID 23027394

IUPACN-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride
SMILESCN(C)c1ccnc(NC2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)n1.Cl
InChIInChI=1S/C19H23F2N5O.ClH/c1-26(2)17-9-10-22-19(25-17)24-14-6-4-13(5-7-14)23-18(27)12-3-8-15(20)16(21)11-12;/h3,8-11,13-14H,4-7H2,1-2H3,(H,23,27)(H,22,24,25);1H
InChIKeyVJTPPWHEKPSACG-UHFFFAOYSA-N
MW411.88 g/mol
LogP3.40
Rot. Bonds5

About N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride

N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride (PubChem CID 23027394) has the molecular formula C19H24ClF2N5O and a molecular weight of 411.88 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride
PubChem CID23027394
Molecular FormulaC19H24ClF2N5O
Molecular Weight411.88 g/mol
Exact Mass411.16
IUPAC NameN-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride
SMILESCN(C)c1ccnc(NC2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)n1.Cl
InChIInChI=1S/C19H23F2N5O.ClH/c1-26(2)17-9-10-22-19(25-17)24-14-6-4-13(5-7-14)23-18(27)12-3-8-15(20)16(21)11-12;/h3,8-11,13-14H,4-7H2,1-2H3,(H,23,27)(H,22,24,25);1H
InChIKeyVJTPPWHEKPSACG-UHFFFAOYSA-N
XLogP3.40
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.88
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride with MolForge

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Related Compounds

N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide
CID 23026609
3,4-dichloro-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]benzamide
CID 23026777
N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride
CID 23027827
N-[4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide
CID 23027828
2-(2-chloro-4-fluorophenyl)-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 23026769
2-(difluoromethylsulfanyl)-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]benzamide
CID 23027732
2-bromo-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-5-methoxybenzamide
CID 23027493
1-(2,4-dibromophenyl)-3-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]urea
CID 23027871
1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea
CID 154483881
N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-4-fluoro-3-methylbenzamide
CID 23027256
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methylbenzamide
CID 45485077
2-butyl-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-dihydroxybenzamide
CID 175245193

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride?
The IUPAC name of N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride (CID 23027394) is N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride.
What is the SMILES notation for N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride?
The canonical SMILES for N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride is CN(C)c1ccnc(NC2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)n1.Cl.
What is the InChIKey of N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride?
The InChIKey is VJTPPWHEKPSACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O.ClH/c1-26(2)17-9-10-22-19(25-17)24-14-6-4-13(5-7-14)23-18(27)12-3-8-15(20)16(21)11-12;/h3,8-11,13-14H,4-7H2,1-2H3,(H,23,27)(H,22,24,25);1H.
What are the key properties of N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride?
N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride has a molecular weight of 411.88 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride is sourced from PubChem (CID 23027394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).