4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride

C21H25ClFN5O — CID 146502566

IUPAC4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride
SMILESCc1cccc(F)c1-n1cc(-c2ncncc2OCC2CCC(N)CC2)cn1.Cl
InChIInChI=1S/C21H24FN5O.ClH/c1-14-3-2-4-18(22)21(14)27-11-16(9-26-27)20-19(10-24-13-25-20)28-12-15-5-7-17(23)8-6-15;/h2-4,9-11,13,15,17H,5-8,12,23H2,1H3;1H
InChIKeyIOZUMQFQXPNXDQ-UHFFFAOYSA-N
MW417.92 g/mol
LogP4.09
Rot. Bonds5

About 4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride

4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride (PubChem CID 146502566) has the molecular formula C21H25ClFN5O and a molecular weight of 417.92 g/mol. Its IUPAC name is 4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride
PubChem CID146502566
Molecular FormulaC21H25ClFN5O
Molecular Weight417.92 g/mol
Exact Mass417.17
IUPAC Name4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride
SMILESCc1cccc(F)c1-n1cc(-c2ncncc2OCC2CCC(N)CC2)cn1.Cl
InChIInChI=1S/C21H24FN5O.ClH/c1-14-3-2-4-18(22)21(14)27-11-16(9-26-27)20-19(10-24-13-25-20)28-12-15-5-7-17(23)8-6-15;/h2-4,9-11,13,15,17H,5-8,12,23H2,1H3;1H
InChIKeyIOZUMQFQXPNXDQ-UHFFFAOYSA-N
XLogP4.09
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride with MolForge

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Related Compounds

5-(cyclohexylmethoxy)-4-[1-(2,6-difluorophenyl)pyrazol-4-yl]pyrimidine
CID 158378532
4-[[4-[1-(4-ethylsulfonylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine
CID 146502697
[4-[[4-chloro-6-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexyl]carbamic acid
CID 146502667
2-[4-[5-[[4-[[5-[(4-aminocyclohexyl)methoxy]-4-[1-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]methoxy]pyrimidin-4-yl]pyrazol-1-yl]benzonitrile
CID 146561923
[4-[[4-[1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexyl]carbamic acid
CID 146502523
3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline
CID 167147889
2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene
CID 59117163
2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene
CID 143507707
N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 154688798
N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 154688818
1-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine
CID 117210939
1-(2,6-difluorophenyl)piperidin-4-amine
CID 28974632

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride (CID 146502566) is 4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride is Cc1cccc(F)c1-n1cc(-c2ncncc2OCC2CCC(N)CC2)cn1.Cl.
What is the InChIKey of 4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride?
The InChIKey is IOZUMQFQXPNXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O.ClH/c1-14-3-2-4-18(22)21(14)27-11-16(9-26-27)20-19(10-24-13-25-20)28-12-15-5-7-17(23)8-6-15;/h2-4,9-11,13,15,17H,5-8,12,23H2,1H3;1H.
What are the key properties of 4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride?
4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride has a molecular weight of 417.92 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[1-(2-fluoro-6-methylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 146502566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).