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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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).