4-(5-chloro-2-methoxypyrimidin-4-yl)-2-[4-(difluoromethoxy)phenyl]morpholine

C16H16ClF2N3O3 — CID 138996348

IUPAC4-(5-chloro-2-methoxypyrimidin-4-yl)-2-[4-(difluoromethoxy)phenyl]morpholine
SMILESCOc1ncc(Cl)c(N2CCOC(c3ccc(OC(F)F)cc3)C2)n1
InChIInChI=1S/C16H16ClF2N3O3/c1-23-16-20-8-12(17)14(21-16)22-6-7-24-13(9-22)10-2-4-11(5-3-10)25-15(18)19/h2-5,8,13,15H,6-7,9H2,1H3
InChIKeyPFRATPXBAPNHIL-UHFFFAOYSA-N
MW371.77 g/mol
LogP3.32
Rot. Bonds5

About 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-[4-(difluoromethoxy)phenyl]morpholine

4-(5-chloro-2-methoxypyrimidin-4-yl)-2-[4-(difluoromethoxy)phenyl]morpholine (PubChem CID 138996348) has the molecular formula C16H16ClF2N3O3 and a molecular weight of 371.77 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-[4-(difluoromethoxy)phenyl]morpholine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxypyrimidin-4-yl)-2-[4-(difluoromethoxy)phenyl]morpholine
PubChem CID138996348
Molecular FormulaC16H16ClF2N3O3
Molecular Weight371.77 g/mol
Exact Mass371.08
IUPAC Name4-(5-chloro-2-methoxypyrimidin-4-yl)-2-[4-(difluoromethoxy)phenyl]morpholine
SMILESCOc1ncc(Cl)c(N2CCOC(c3ccc(OC(F)F)cc3)C2)n1
InChIInChI=1S/C16H16ClF2N3O3/c1-23-16-20-8-12(17)14(21-16)22-6-7-24-13(9-22)10-2-4-11(5-3-10)25-15(18)19/h2-5,8,13,15H,6-7,9H2,1H3
InChIKeyPFRATPXBAPNHIL-UHFFFAOYSA-N
XLogP3.32
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.77
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 122132885
2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine
CID 81210414
2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine
CID 56868196
2-(3,4-dichlorophenyl)-4-(3-methoxypyrazin-2-yl)morpholine
CID 56871103
4-(2,5-dimethylpyrimidin-4-yl)-2-(6-methoxynaphthalen-2-yl)morpholine
CID 56876687
(2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine
CID 124736073
2-(4-chlorophenyl)-4-(3-methoxy-6-methyl-2-pyridinyl)morpholine
CID 146042914
(2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 95402148
2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine
CID 139001685
2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine
CID 56878637
(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95551468
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol
CID 80711574

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-[4-(difluoromethoxy)phenyl]morpholine?
The IUPAC name of 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-[4-(difluoromethoxy)phenyl]morpholine (CID 138996348) is 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-[4-(difluoromethoxy)phenyl]morpholine.
What is the SMILES notation for 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-[4-(difluoromethoxy)phenyl]morpholine?
The canonical SMILES for 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-[4-(difluoromethoxy)phenyl]morpholine is COc1ncc(Cl)c(N2CCOC(c3ccc(OC(F)F)cc3)C2)n1.
What is the InChIKey of 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-[4-(difluoromethoxy)phenyl]morpholine?
The InChIKey is PFRATPXBAPNHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N3O3/c1-23-16-20-8-12(17)14(21-16)22-6-7-24-13(9-22)10-2-4-11(5-3-10)25-15(18)19/h2-5,8,13,15H,6-7,9H2,1H3.
What are the key properties of 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-[4-(difluoromethoxy)phenyl]morpholine?
4-(5-chloro-2-methoxypyrimidin-4-yl)-2-[4-(difluoromethoxy)phenyl]morpholine has a molecular weight of 371.77 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-[4-(difluoromethoxy)phenyl]morpholine is sourced from PubChem (CID 138996348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).