4-(4-amino-3-fluorophenyl)-6-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]pyrimidin-2-amine

C24H24FN7O2 — CID 70669139

IUPAC4-(4-amino-3-fluorophenyl)-6-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]pyrimidin-2-amine
SMILESCOc1cccc(-c2cnc(C3CN(c4cc(-c5ccc(N)c(F)c5)nc(N)n4)CCO3)[nH]2)c1
InChIInChI=1S/C24H24FN7O2/c1-33-16-4-2-3-14(9-16)20-12-28-23(29-20)21-13-32(7-8-34-21)22-11-19(30-24(27)31-22)15-5-6-18(26)17(25)10-15/h2-6,9-12,21H,7-8,13,26H2,1H3,(H,28,29)(H2,27,30,31)
InChIKeyBOEABWLMCHTDHV-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.42
Rot. Bonds5

About 4-(4-amino-3-fluorophenyl)-6-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]pyrimidin-2-amine

4-(4-amino-3-fluorophenyl)-6-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]pyrimidin-2-amine (PubChem CID 70669139) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 4-(4-amino-3-fluorophenyl)-6-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-amino-3-fluorophenyl)-6-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]pyrimidin-2-amine
PubChem CID70669139
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name4-(4-amino-3-fluorophenyl)-6-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]pyrimidin-2-amine
SMILESCOc1cccc(-c2cnc(C3CN(c4cc(-c5ccc(N)c(F)c5)nc(N)n4)CCO3)[nH]2)c1
InChIInChI=1S/C24H24FN7O2/c1-33-16-4-2-3-14(9-16)20-12-28-23(29-20)21-13-32(7-8-34-21)22-11-19(30-24(27)31-22)15-5-6-18(26)17(25)10-15/h2-6,9-12,21H,7-8,13,26H2,1H3,(H,28,29)(H2,27,30,31)
InChIKeyBOEABWLMCHTDHV-UHFFFAOYSA-N
XLogP3.42
TPSA128.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-fluorophenyl)-6-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(4-amino-3-fluorophenyl)-6-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]pyrimidin-2-amine (CID 70669139) is 4-(4-amino-3-fluorophenyl)-6-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-amino-3-fluorophenyl)-6-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-amino-3-fluorophenyl)-6-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]pyrimidin-2-amine is COc1cccc(-c2cnc(C3CN(c4cc(-c5ccc(N)c(F)c5)nc(N)n4)CCO3)[nH]2)c1.
What is the InChIKey of 4-(4-amino-3-fluorophenyl)-6-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]pyrimidin-2-amine?
The InChIKey is BOEABWLMCHTDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-33-16-4-2-3-14(9-16)20-12-28-23(29-20)21-13-32(7-8-34-21)22-11-19(30-24(27)31-22)15-5-6-18(26)17(25)10-15/h2-6,9-12,21H,7-8,13,26H2,1H3,(H,28,29)(H2,27,30,31).
What are the key properties of 4-(4-amino-3-fluorophenyl)-6-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]pyrimidin-2-amine?
4-(4-amino-3-fluorophenyl)-6-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]pyrimidin-2-amine has a molecular weight of 461.50 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-fluorophenyl)-6-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 70669139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).