N-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine

C24H23ClFN5O — CID 66881903

IUPACN-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine
SMILESFc1ccc2ccn(-c3cc(N4CCOCC4)nc(NCCc4cccc(Cl)c4)n3)c2c1
InChIInChI=1S/C24H23ClFN5O/c25-19-3-1-2-17(14-19)6-8-27-24-28-22(30-10-12-32-13-11-30)16-23(29-24)31-9-7-18-4-5-20(26)15-21(18)31/h1-5,7,9,14-16H,6,8,10-13H2,(H,27,28,29)
InChIKeyUYLVHITYLTUQOM-UHFFFAOYSA-N
MW451.93 g/mol
LogP4.70
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine

N-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 66881903) has the molecular formula C24H23ClFN5O and a molecular weight of 451.93 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID66881903
Molecular FormulaC24H23ClFN5O
Molecular Weight451.93 g/mol
Exact Mass451.16
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine
SMILESFc1ccc2ccn(-c3cc(N4CCOCC4)nc(NCCc4cccc(Cl)c4)n3)c2c1
InChIInChI=1S/C24H23ClFN5O/c25-19-3-1-2-17(14-19)6-8-27-24-28-22(30-10-12-32-13-11-30)16-23(29-24)31-9-7-18-4-5-20(26)15-21(18)31/h1-5,7,9,14-16H,6,8,10-13H2,(H,27,28,29)
InChIKeyUYLVHITYLTUQOM-UHFFFAOYSA-N
XLogP4.70
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.93
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine (CID 66881903) is N-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine is Fc1ccc2ccn(-c3cc(N4CCOCC4)nc(NCCc4cccc(Cl)c4)n3)c2c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is UYLVHITYLTUQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O/c25-19-3-1-2-17(14-19)6-8-27-24-28-22(30-10-12-32-13-11-30)16-23(29-24)31-9-7-18-4-5-20(26)15-21(18)31/h1-5,7,9,14-16H,6,8,10-13H2,(H,27,28,29).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine?
N-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 451.93 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 66881903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).