4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine

C23H22F2N6O — CID 25109544

IUPAC4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine
SMILESFc1cc(CCNc2nc(-c3c(F)ccc4[nH]ccc34)cc(N3CCOCC3)n2)ccn1
InChIInChI=1S/C23H22F2N6O/c24-17-1-2-18-16(5-8-26-18)22(17)19-14-21(31-9-11-32-12-10-31)30-23(29-19)28-7-4-15-3-6-27-20(25)13-15/h1-3,5-6,8,13-14,26H,4,7,9-12H2,(H,28,29,30)
InChIKeyQEZWTQBZXDZQRL-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.79
Rot. Bonds6

About 4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine

4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 25109544) has the molecular formula C23H22F2N6O and a molecular weight of 436.47 g/mol. Its IUPAC name is 4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID25109544
Molecular FormulaC23H22F2N6O
Molecular Weight436.47 g/mol
Exact Mass436.18
IUPAC Name4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine
SMILESFc1cc(CCNc2nc(-c3c(F)ccc4[nH]ccc34)cc(N3CCOCC3)n2)ccn1
InChIInChI=1S/C23H22F2N6O/c24-17-1-2-18-16(5-8-26-18)22(17)19-14-21(31-9-11-32-12-10-31)30-23(29-19)28-7-4-15-3-6-27-20(25)13-15/h1-3,5-6,8,13-14,26H,4,7,9-12H2,(H,28,29,30)
InChIKeyQEZWTQBZXDZQRL-UHFFFAOYSA-N
XLogP3.79
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-6-amine
CID 25109474
4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine
CID 25109300
4-(2-aza-7λ4-tungstabicyclo[3.3.0]octa-1(5),3,6,7-tetraen-6-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 145493366
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384
4-methyl-6-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112912080
N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
CID 112944060
N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886390
4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508140
N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935378
N-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine
CID 66881903
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
N-[2-(3-fluorophenyl)ethyl]-6-morpholin-4-ylpyridin-2-amine
CID 90689116

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine (CID 25109544) is 4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine is Fc1cc(CCNc2nc(-c3c(F)ccc4[nH]ccc34)cc(N3CCOCC3)n2)ccn1.
What is the InChIKey of 4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is QEZWTQBZXDZQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O/c24-17-1-2-18-16(5-8-26-18)22(17)19-14-21(31-9-11-32-12-10-31)30-23(29-19)28-7-4-15-3-6-27-20(25)13-15/h1-3,5-6,8,13-14,26H,4,7,9-12H2,(H,28,29,30).
What are the key properties of 4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine?
4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 436.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1H-indol-4-yl)-N-[2-(2-fluoro-4-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 25109544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).