N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine

C19H24BrFN6O — CID 175650246

IUPACN-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN(c1ccnc(N2CCOCC2)n1)C1CCN(c2ncc(Br)cc2F)CC1
InChIInChI=1S/C19H24BrFN6O/c1-25(17-2-5-22-19(24-17)27-8-10-28-11-9-27)15-3-6-26(7-4-15)18-16(21)12-14(20)13-23-18/h2,5,12-13,15H,3-4,6-11H2,1H3
InChIKeySXKVMXACWOBAOL-UHFFFAOYSA-N
MW451.34 g/mol
LogP2.71
Rot. Bonds4

About N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine

N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 175650246) has the molecular formula C19H24BrFN6O and a molecular weight of 451.34 g/mol. Its IUPAC name is N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID175650246
Molecular FormulaC19H24BrFN6O
Molecular Weight451.34 g/mol
Exact Mass450.12
IUPAC NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN(c1ccnc(N2CCOCC2)n1)C1CCN(c2ncc(Br)cc2F)CC1
InChIInChI=1S/C19H24BrFN6O/c1-25(17-2-5-22-19(24-17)27-8-10-28-11-9-27)15-3-6-26(7-4-15)18-16(21)12-14(20)13-23-18/h2,5,12-13,15H,3-4,6-11H2,1H3
InChIKeySXKVMXACWOBAOL-UHFFFAOYSA-N
XLogP2.71
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 175650246) is N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is CN(c1ccnc(N2CCOCC2)n1)C1CCN(c2ncc(Br)cc2F)CC1.
What is the InChIKey of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is SXKVMXACWOBAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrFN6O/c1-25(17-2-5-22-19(24-17)27-8-10-28-11-9-27)15-3-6-26(7-4-15)18-16(21)12-14(20)13-23-18/h2,5,12-13,15H,3-4,6-11H2,1H3.
What are the key properties of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 451.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 175650246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).