4-[2-chloro-5-fluoro-6-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine

C16H17ClF2N4O3 — CID 87758105

IUPAC4-[2-chloro-5-fluoro-6-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine
SMILESCOC(COc1nc(Cl)nc(N2CCOCC2)c1F)c1ccc(F)cn1
InChIInChI=1S/C16H17ClF2N4O3/c1-24-12(11-3-2-10(18)8-20-11)9-26-15-13(19)14(21-16(17)22-15)23-4-6-25-7-5-23/h2-3,8,12H,4-7,9H2,1H3
InChIKeyHDRPJSYBVOUEPM-UHFFFAOYSA-N
MW386.79 g/mol
LogP2.41
Rot. Bonds6

About 4-[2-chloro-5-fluoro-6-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine

4-[2-chloro-5-fluoro-6-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine (PubChem CID 87758105) has the molecular formula C16H17ClF2N4O3 and a molecular weight of 386.79 g/mol. Its IUPAC name is 4-[2-chloro-5-fluoro-6-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-5-fluoro-6-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine
PubChem CID87758105
Molecular FormulaC16H17ClF2N4O3
Molecular Weight386.79 g/mol
Exact Mass386.10
IUPAC Name4-[2-chloro-5-fluoro-6-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine
SMILESCOC(COc1nc(Cl)nc(N2CCOCC2)c1F)c1ccc(F)cn1
InChIInChI=1S/C16H17ClF2N4O3/c1-24-12(11-3-2-10(18)8-20-11)9-26-15-13(19)14(21-16(17)22-15)23-4-6-25-7-5-23/h2-3,8,12H,4-7,9H2,1H3
InChIKeyHDRPJSYBVOUEPM-UHFFFAOYSA-N
XLogP2.41
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-5-fluoro-6-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-5-fluoro-6-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine (CID 87758105) is 4-[2-chloro-5-fluoro-6-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-5-fluoro-6-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-5-fluoro-6-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine is COC(COc1nc(Cl)nc(N2CCOCC2)c1F)c1ccc(F)cn1.
What is the InChIKey of 4-[2-chloro-5-fluoro-6-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine?
The InChIKey is HDRPJSYBVOUEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N4O3/c1-24-12(11-3-2-10(18)8-20-11)9-26-15-13(19)14(21-16(17)22-15)23-4-6-25-7-5-23/h2-3,8,12H,4-7,9H2,1H3.
What are the key properties of 4-[2-chloro-5-fluoro-6-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine?
4-[2-chloro-5-fluoro-6-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine has a molecular weight of 386.79 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-5-fluoro-6-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 87758105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).