4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine

C25H31FN6O — CID 162424586

IUPAC4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
SMILESFc1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc(NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C25H31FN6O/c26-20-8-6-19(7-9-20)23-24(32(18-29-23)21-4-2-1-3-5-21)22-10-11-27-25(30-22)28-12-13-31-14-16-33-17-15-31/h6-11,18,21H,1-5,12-17H2,(H,27,28,30)
InChIKeyAQMGRXWVIWZXQY-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.40
Rot. Bonds7

About 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine

4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine (PubChem CID 162424586) has the molecular formula C25H31FN6O and a molecular weight of 450.56 g/mol. Its IUPAC name is 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
PubChem CID162424586
Molecular FormulaC25H31FN6O
Molecular Weight450.56 g/mol
Exact Mass450.25
IUPAC Name4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
SMILESFc1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc(NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C25H31FN6O/c26-20-8-6-19(7-9-20)23-24(32(18-29-23)21-4-2-1-3-5-21)22-10-11-27-25(30-22)28-12-13-31-14-16-33-17-15-31/h6-11,18,21H,1-5,12-17H2,(H,27,28,30)
InChIKeyAQMGRXWVIWZXQY-UHFFFAOYSA-N
XLogP4.40
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine with MolForge

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Related Compounds

N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine
CID 142630915
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
CID 135370833
4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
CID 23133387
benzyl N-[4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamate
CID 153461579
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 155563214
N-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
CID 23133386
1-ethynyl-4-[4-(4-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]cyclohexan-1-ol
CID 152782025
4-[4-(4-fluorophenyl)-5-[2-(hydroxymethyl)pyrimidin-4-yl]imidazol-1-yl]cyclohexan-1-ol
CID 58473081
2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine
CID 117092719
9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine
CID 117084130
4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112882231

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine (CID 162424586) is 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine is Fc1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc(NCCN3CCOCC3)n2)cc1.
What is the InChIKey of 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The InChIKey is AQMGRXWVIWZXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O/c26-20-8-6-19(7-9-20)23-24(32(18-29-23)21-4-2-1-3-5-21)22-10-11-27-25(30-22)28-12-13-31-14-16-33-17-15-31/h6-11,18,21H,1-5,12-17H2,(H,27,28,30).
What are the key properties of 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine has a molecular weight of 450.56 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 162424586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).