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

C20H22FN7O2 — CID 169200316

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(5-methoxypyrazin-2-yl)-3-pyridinyl]pyrimidin-4-amine
SMILESCOc1cnc(-c2cnc(F)c(Nc3ccnc(N4C[C@@H](C)O[C@@H](C)C4)n3)c2)cn1
InChIInChI=1S/C20H22FN7O2/c1-12-10-28(11-13(2)30-12)20-22-5-4-17(27-20)26-15-6-14(7-25-19(15)21)16-8-24-18(29-3)9-23-16/h4-9,12-13H,10-11H2,1-3H3,(H,22,26,27)/t12-,13+
InChIKeyUPTQZDKIJUDGJH-BETUJISGSA-N
MW411.44 g/mol
LogP2.83
Rot. Bonds5

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

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(5-methoxypyrazin-2-yl)-3-pyridinyl]pyrimidin-4-amine (PubChem CID 169200316) has the molecular formula C20H22FN7O2 and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(5-methoxypyrazin-2-yl)-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(5-methoxypyrazin-2-yl)-3-pyridinyl]pyrimidin-4-amine
PubChem CID169200316
Molecular FormulaC20H22FN7O2
Molecular Weight411.44 g/mol
Exact Mass411.18
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(5-methoxypyrazin-2-yl)-3-pyridinyl]pyrimidin-4-amine
SMILESCOc1cnc(-c2cnc(F)c(Nc3ccnc(N4C[C@@H](C)O[C@@H](C)C4)n3)c2)cn1
InChIInChI=1S/C20H22FN7O2/c1-12-10-28(11-13(2)30-12)20-22-5-4-17(27-20)26-15-6-14(7-25-19(15)21)16-8-24-18(29-3)9-23-16/h4-9,12-13H,10-11H2,1-3H3,(H,22,26,27)/t12-,13+
InChIKeyUPTQZDKIJUDGJH-BETUJISGSA-N
XLogP2.83
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyrimidin-4-amine
CID 169200639
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-N-[5-(5-methoxypyrazin-2-yl)pyridazin-3-yl]pyrimidin-4-amine
CID 169200711
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
CID 176801044
3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one
CID 169200496
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(2-fluoro-4-methoxyphenyl)pyridazin-3-yl]pyrimidin-4-amine
CID 169200487
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine
CID 169200837
N-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
CID 171576688
methyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate
CID 122140004
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 176800995
ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 169200687
N-[4-[2-(difluoromethyl)indazol-5-yl]-2-pyridinyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
CID 178129764
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-(4-fluoropiperidin-1-yl)pyrimidin-4-amine;ethane
CID 169200961

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(5-methoxypyrazin-2-yl)-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(5-methoxypyrazin-2-yl)-3-pyridinyl]pyrimidin-4-amine (CID 169200316) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(5-methoxypyrazin-2-yl)-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(5-methoxypyrazin-2-yl)-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(5-methoxypyrazin-2-yl)-3-pyridinyl]pyrimidin-4-amine is COc1cnc(-c2cnc(F)c(Nc3ccnc(N4C[C@@H](C)O[C@@H](C)C4)n3)c2)cn1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(5-methoxypyrazin-2-yl)-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is UPTQZDKIJUDGJH-BETUJISGSA-N. The full InChI is InChI=1S/C20H22FN7O2/c1-12-10-28(11-13(2)30-12)20-22-5-4-17(27-20)26-15-6-14(7-25-19(15)21)16-8-24-18(29-3)9-23-16/h4-9,12-13H,10-11H2,1-3H3,(H,22,26,27)/t12-,13+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(5-methoxypyrazin-2-yl)-3-pyridinyl]pyrimidin-4-amine?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(5-methoxypyrazin-2-yl)-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 411.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(5-methoxypyrazin-2-yl)-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 169200316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).