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

C24H25FN6O2 — CID 25109545

IUPAC4-(5-fluoro-1H-indol-4-yl)-N-[2-(5-methoxy-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine
SMILESCOc1ccc(CCNc2nc(-c3c(F)ccc4[nH]ccc34)cc(N3CCOCC3)n2)nc1
InChIInChI=1S/C24H25FN6O2/c1-32-17-3-2-16(28-15-17)6-8-27-24-29-21(14-22(30-24)31-10-12-33-13-11-31)23-18-7-9-26-20(18)5-4-19(23)25/h2-5,7,9,14-15,26H,6,8,10-13H2,1H3,(H,27,29,30)
InChIKeyCEOPURPTMIBATD-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.66
Rot. Bonds7

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

4-(5-fluoro-1H-indol-4-yl)-N-[2-(5-methoxy-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 25109545) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 4-(5-fluoro-1H-indol-4-yl)-N-[2-(5-methoxy-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-fluoro-1H-indol-4-yl)-N-[2-(5-methoxy-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID25109545
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name4-(5-fluoro-1H-indol-4-yl)-N-[2-(5-methoxy-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine
SMILESCOc1ccc(CCNc2nc(-c3c(F)ccc4[nH]ccc34)cc(N3CCOCC3)n2)nc1
InChIInChI=1S/C24H25FN6O2/c1-32-17-3-2-16(28-15-17)6-8-27-24-29-21(14-22(30-24)31-10-12-33-13-11-31)23-18-7-9-26-20(18)5-4-19(23)25/h2-5,7,9,14-15,26H,6,8,10-13H2,1H3,(H,27,29,30)
InChIKeyCEOPURPTMIBATD-UHFFFAOYSA-N
XLogP3.66
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]pyridin-2-amine
CID 20744789
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-{[2-(morpholin-4-yl)ethoxy]imino}methyl]pyrimidin-4-amine
CID 23646062
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-ethylpyridin-2-amine
CID 23646992
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-cyclopropylpyridin-2-amine
CID 23646993
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-benzylpyridin-2-amine
CID 23646994
N~4~-Methyl-N~2~-[2-Methyl-1-(2-Phenoxyphenyl)-1h-Indol-6-Yl]pyrimidine-2,4-Diamine
CID 121005806
N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
CID 121411739
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234673
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-methylpyridin-2-amine
CID 23646991
N-{2-Methoxy-4-[(1-Methylpiperidin-4-Yl)oxy]phenyl}-4-(1h-Pyrrolo[2,3-C]pyridin-3-Yl)pyrimidin-2-Amine
CID 91668530
4-N-(4-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)pyrimidine-2,4-diamine
CID 10238471
N-(3-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)pyrimidin-2-amine
CID 10288118

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1H-indol-4-yl)-N-[2-(5-methoxy-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(5-fluoro-1H-indol-4-yl)-N-[2-(5-methoxy-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine (CID 25109545) is 4-(5-fluoro-1H-indol-4-yl)-N-[2-(5-methoxy-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-fluoro-1H-indol-4-yl)-N-[2-(5-methoxy-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(5-fluoro-1H-indol-4-yl)-N-[2-(5-methoxy-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine is COc1ccc(CCNc2nc(-c3c(F)ccc4[nH]ccc34)cc(N3CCOCC3)n2)nc1.
What is the InChIKey of 4-(5-fluoro-1H-indol-4-yl)-N-[2-(5-methoxy-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is CEOPURPTMIBATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-32-17-3-2-16(28-15-17)6-8-27-24-29-21(14-22(30-24)31-10-12-33-13-11-31)23-18-7-9-26-20(18)5-4-19(23)25/h2-5,7,9,14-15,26H,6,8,10-13H2,1H3,(H,27,29,30).
What are the key properties of 4-(5-fluoro-1H-indol-4-yl)-N-[2-(5-methoxy-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine?
4-(5-fluoro-1H-indol-4-yl)-N-[2-(5-methoxy-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 448.50 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1H-indol-4-yl)-N-[2-(5-methoxy-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 25109545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).