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

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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).