2-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-4-amine

C21H25FN6O — CID 139785101

IUPAC2-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)n1
InChIInChI=1S/C21H25FN6O/c1-23-18-7-8-24-21(26-18)20-19(16-3-5-17(22)6-4-16)25-15-28(20)10-2-9-27-11-13-29-14-12-27/h3-8,15H,2,9-14H2,1H3,(H,23,24,26)
InChIKeyIUDUYXRPCUGZCN-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.91
Rot. Bonds7

About 2-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-4-amine

2-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-4-amine (PubChem CID 139785101) has the molecular formula C21H25FN6O and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-4-amine
PubChem CID139785101
Molecular FormulaC21H25FN6O
Molecular Weight396.47 g/mol
Exact Mass396.21
IUPAC Name2-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)n1
InChIInChI=1S/C21H25FN6O/c1-23-18-7-8-24-21(26-18)20-19(16-3-5-17(22)6-4-16)25-15-28(20)10-2-9-27-11-13-29-14-12-27/h3-8,15H,2,9-14H2,1H3,(H,23,24,26)
InChIKeyIUDUYXRPCUGZCN-UHFFFAOYSA-N
XLogP2.91
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-4-amine (CID 139785101) is 2-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-4-amine is CNc1ccnc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)n1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-4-amine?
The InChIKey is IUDUYXRPCUGZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O/c1-23-18-7-8-24-21(26-18)20-19(16-3-5-17(22)6-4-16)25-15-28(20)10-2-9-27-11-13-29-14-12-27/h3-8,15H,2,9-14H2,1H3,(H,23,24,26).
What are the key properties of 2-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-4-amine?
2-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-4-amine has a molecular weight of 396.47 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 139785101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).