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

C19H21FN8O2 — CID 169200711

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-N-[5-(5-methoxypyrazin-2-yl)pyridazin-3-yl]pyrimidin-4-amine
SMILESCOc1cnc(-c2cnnc(Nc3cc(F)nc(N4C[C@@H](C)O[C@@H](C)C4)n3)c2)cn1
InChIInChI=1S/C19H21FN8O2/c1-11-9-28(10-12(2)30-11)19-24-15(20)5-16(26-19)25-17-4-13(6-23-27-17)14-7-22-18(29-3)8-21-14/h4-8,11-12H,9-10H2,1-3H3,(H,24,25,26,27)/t11-,12+
InChIKeyOBYIMKNIUUBEPT-TXEJJXNPSA-N
MW412.43 g/mol
LogP2.23
Rot. Bonds5

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

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-N-[5-(5-methoxypyrazin-2-yl)pyridazin-3-yl]pyrimidin-4-amine (PubChem CID 169200711) has the molecular formula C19H21FN8O2 and a molecular weight of 412.43 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-N-[5-(5-methoxypyrazin-2-yl)pyridazin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-N-[5-(5-methoxypyrazin-2-yl)pyridazin-3-yl]pyrimidin-4-amine
PubChem CID169200711
Molecular FormulaC19H21FN8O2
Molecular Weight412.43 g/mol
Exact Mass412.18
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-N-[5-(5-methoxypyrazin-2-yl)pyridazin-3-yl]pyrimidin-4-amine
SMILESCOc1cnc(-c2cnnc(Nc3cc(F)nc(N4C[C@@H](C)O[C@@H](C)C4)n3)c2)cn1
InChIInChI=1S/C19H21FN8O2/c1-11-9-28(10-12(2)30-11)19-24-15(20)5-16(26-19)25-17-4-13(6-23-27-17)14-7-22-18(29-3)8-21-14/h4-8,11-12H,9-10H2,1-3H3,(H,24,25,26,27)/t11-,12+
InChIKeyOBYIMKNIUUBEPT-TXEJJXNPSA-N
XLogP2.23
TPSA111.07 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-N-[5-(5-methoxypyrazin-2-yl)pyridazin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-N-[5-(5-methoxypyrazin-2-yl)pyridazin-3-yl]pyrimidin-4-amine (CID 169200711) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-N-[5-(5-methoxypyrazin-2-yl)pyridazin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-N-[5-(5-methoxypyrazin-2-yl)pyridazin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-N-[5-(5-methoxypyrazin-2-yl)pyridazin-3-yl]pyrimidin-4-amine is COc1cnc(-c2cnnc(Nc3cc(F)nc(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]-6-fluoro-N-[5-(5-methoxypyrazin-2-yl)pyridazin-3-yl]pyrimidin-4-amine?
The InChIKey is OBYIMKNIUUBEPT-TXEJJXNPSA-N. The full InChI is InChI=1S/C19H21FN8O2/c1-11-9-28(10-12(2)30-11)19-24-15(20)5-16(26-19)25-17-4-13(6-23-27-17)14-7-22-18(29-3)8-21-14/h4-8,11-12H,9-10H2,1-3H3,(H,24,25,26,27)/t11-,12+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-N-[5-(5-methoxypyrazin-2-yl)pyridazin-3-yl]pyrimidin-4-amine?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-N-[5-(5-methoxypyrazin-2-yl)pyridazin-3-yl]pyrimidin-4-amine has a molecular weight of 412.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-N-[5-(5-methoxypyrazin-2-yl)pyridazin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 169200711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).