N-(5-bromo-2-fluoro-3-pyridinyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine

C15H17BrFN5O — CID 169200990

IUPACN-(5-bromo-2-fluoro-3-pyridinyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
SMILESC[C@@H]1CN(c2nccc(Nc3cc(Br)cnc3F)n2)C[C@H](C)O1
InChIInChI=1S/C15H17BrFN5O/c1-9-7-22(8-10(2)23-9)15-18-4-3-13(21-15)20-12-5-11(16)6-19-14(12)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,20,21)/t9-,10+
InChIKeyYOZGORWIWPIQSH-AOOOYVTPSA-N
MW382.24 g/mol
LogP3.13
Rot. Bonds3

About N-(5-bromo-2-fluoro-3-pyridinyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine

N-(5-bromo-2-fluoro-3-pyridinyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine (PubChem CID 169200990) has the molecular formula C15H17BrFN5O and a molecular weight of 382.24 g/mol. Its IUPAC name is N-(5-bromo-2-fluoro-3-pyridinyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-fluoro-3-pyridinyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
PubChem CID169200990
Molecular FormulaC15H17BrFN5O
Molecular Weight382.24 g/mol
Exact Mass381.06
IUPAC NameN-(5-bromo-2-fluoro-3-pyridinyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
SMILESC[C@@H]1CN(c2nccc(Nc3cc(Br)cnc3F)n2)C[C@H](C)O1
InChIInChI=1S/C15H17BrFN5O/c1-9-7-22(8-10(2)23-9)15-18-4-3-13(21-15)20-12-5-11(16)6-19-14(12)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,20,21)/t9-,10+
InChIKeyYOZGORWIWPIQSH-AOOOYVTPSA-N
XLogP3.13
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluoro-3-pyridinyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-(5-bromo-2-fluoro-3-pyridinyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine (CID 169200990) is N-(5-bromo-2-fluoro-3-pyridinyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(5-bromo-2-fluoro-3-pyridinyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-(5-bromo-2-fluoro-3-pyridinyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine is C[C@@H]1CN(c2nccc(Nc3cc(Br)cnc3F)n2)C[C@H](C)O1.
What is the InChIKey of N-(5-bromo-2-fluoro-3-pyridinyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine?
The InChIKey is YOZGORWIWPIQSH-AOOOYVTPSA-N. The full InChI is InChI=1S/C15H17BrFN5O/c1-9-7-22(8-10(2)23-9)15-18-4-3-13(21-15)20-12-5-11(16)6-19-14(12)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,20,21)/t9-,10+.
What are the key properties of N-(5-bromo-2-fluoro-3-pyridinyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine?
N-(5-bromo-2-fluoro-3-pyridinyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine has a molecular weight of 382.24 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluoro-3-pyridinyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 169200990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).