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

C18H22BrFN6O — CID 175650168

IUPACN-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESFc1cc(Br)cnc1N1CCC(Nc2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C18H22BrFN6O/c19-13-11-15(20)17(22-12-13)25-5-2-14(3-6-25)23-16-1-4-21-18(24-16)26-7-9-27-10-8-26/h1,4,11-12,14H,2-3,5-10H2,(H,21,23,24)
InChIKeyCGNIMYMTQGMJTL-UHFFFAOYSA-N
MW437.32 g/mol
LogP2.69
Rot. Bonds4

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

N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 175650168) has the molecular formula C18H22BrFN6O and a molecular weight of 437.32 g/mol. Its IUPAC name is N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID175650168
Molecular FormulaC18H22BrFN6O
Molecular Weight437.32 g/mol
Exact Mass436.10
IUPAC NameN-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESFc1cc(Br)cnc1N1CCC(Nc2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C18H22BrFN6O/c19-13-11-15(20)17(22-12-13)25-5-2-14(3-6-25)23-16-1-4-21-18(24-16)26-7-9-27-10-8-26/h1,4,11-12,14H,2-3,5-10H2,(H,21,23,24)
InChIKeyCGNIMYMTQGMJTL-UHFFFAOYSA-N
XLogP2.69
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
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]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 175650168) is N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is Fc1cc(Br)cnc1N1CCC(Nc2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is CGNIMYMTQGMJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrFN6O/c19-13-11-15(20)17(22-12-13)25-5-2-14(3-6-25)23-16-1-4-21-18(24-16)26-7-9-27-10-8-26/h1,4,11-12,14H,2-3,5-10H2,(H,21,23,24).
What are the key properties of N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 437.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 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]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 175650168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).