6-(2-cyclohexylethyl)-5-fluoro-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine

C23H28FN5 — CID 159657128

IUPAC6-(2-cyclohexylethyl)-5-fluoro-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
SMILESCN(Cc1cccc(-n2cccn2)c1)c1ncnc(CCC2CCCCC2)c1F
InChIInChI=1S/C23H28FN5/c1-28(16-19-9-5-10-20(15-19)29-14-6-13-27-29)23-22(24)21(25-17-26-23)12-11-18-7-3-2-4-8-18/h5-6,9-10,13-15,17-18H,2-4,7-8,11-12,16H2,1H3
InChIKeyHALZIVNJQDKBPS-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.95
Rot. Bonds7

About 6-(2-cyclohexylethyl)-5-fluoro-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine

6-(2-cyclohexylethyl)-5-fluoro-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine (PubChem CID 159657128) has the molecular formula C23H28FN5 and a molecular weight of 393.51 g/mol. Its IUPAC name is 6-(2-cyclohexylethyl)-5-fluoro-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-cyclohexylethyl)-5-fluoro-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
PubChem CID159657128
Molecular FormulaC23H28FN5
Molecular Weight393.51 g/mol
Exact Mass393.23
IUPAC Name6-(2-cyclohexylethyl)-5-fluoro-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
SMILESCN(Cc1cccc(-n2cccn2)c1)c1ncnc(CCC2CCCCC2)c1F
InChIInChI=1S/C23H28FN5/c1-28(16-19-9-5-10-20(15-19)29-14-6-13-27-29)23-22(24)21(25-17-26-23)12-11-18-7-3-2-4-8-18/h5-6,9-10,13-15,17-18H,2-4,7-8,11-12,16H2,1H3
InChIKeyHALZIVNJQDKBPS-UHFFFAOYSA-N
XLogP4.95
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-cyclohexylethyl)phenyl]pyrazole
CID 91400581
N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine
CID 62488878
6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
CID 56712468
2-[(3R)-4-[2-[5-fluoro-6-[(3-methoxyphenyl)methyl-methylamino]pyrimidin-4-yl]ethyl]-3-hydroxypiperidin-1-yl]acetamide
CID 157066790
6-N-(cyclohexylmethyl)-5-fluoro-4-N-methyl-4-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidine-4,6-diamine;N-cyclopropyl-5-fluoro-6-[3-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]propyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;2-[4-[[[6-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;5-fluoro-4-N-methyl-6-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-4-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidine-4,6-diamine;5-fluoro-N-methyl-6-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine;1,1,1-trifluoro-N-[4-[[[5-fluoro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide
CID 159900054
(3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol
CID 97273821
N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]oxolane-3-carboxamide
CID 70740916
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 70727919
1-[4-(2-cyclohexylethyl)phenyl]pyrazole;2-methylpropane-2-sulfinate
CID 91400580
4-[[[5-fluoro-6-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]amino]methyl]benzenethiol
CID 166976359
(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
CID 25493591
(4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 70750518

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexylethyl)-5-fluoro-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(2-cyclohexylethyl)-5-fluoro-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine (CID 159657128) is 6-(2-cyclohexylethyl)-5-fluoro-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-cyclohexylethyl)-5-fluoro-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-cyclohexylethyl)-5-fluoro-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine is CN(Cc1cccc(-n2cccn2)c1)c1ncnc(CCC2CCCCC2)c1F.
What is the InChIKey of 6-(2-cyclohexylethyl)-5-fluoro-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is HALZIVNJQDKBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5/c1-28(16-19-9-5-10-20(15-19)29-14-6-13-27-29)23-22(24)21(25-17-26-23)12-11-18-7-3-2-4-8-18/h5-6,9-10,13-15,17-18H,2-4,7-8,11-12,16H2,1H3.
What are the key properties of 6-(2-cyclohexylethyl)-5-fluoro-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine?
6-(2-cyclohexylethyl)-5-fluoro-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 393.51 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexylethyl)-5-fluoro-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 159657128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).