4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine

C12H14ClF2N3O — CID 144739899

IUPAC4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine
SMILESFC1(F)CC1Cc1nc(Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C12H14ClF2N3O/c13-9-6-11(18-1-3-19-4-2-18)17-10(16-9)5-8-7-12(8,14)15/h6,8H,1-5,7H2
InChIKeyNOFDLIQHQRZUTF-UHFFFAOYSA-N
MW289.71 g/mol
LogP2.16
Rot. Bonds3

About 4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine

4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine (PubChem CID 144739899) has the molecular formula C12H14ClF2N3O and a molecular weight of 289.71 g/mol. Its IUPAC name is 4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine
PubChem CID144739899
Molecular FormulaC12H14ClF2N3O
Molecular Weight289.71 g/mol
Exact Mass289.08
IUPAC Name4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine
SMILESFC1(F)CC1Cc1nc(Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C12H14ClF2N3O/c13-9-6-11(18-1-3-19-4-2-18)17-10(16-9)5-8-7-12(8,14)15/h6,8H,1-5,7H2
InChIKeyNOFDLIQHQRZUTF-UHFFFAOYSA-N
XLogP2.16
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.71
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine (CID 144739899) is 4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine is FC1(F)CC1Cc1nc(Cl)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine?
The InChIKey is NOFDLIQHQRZUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N3O/c13-9-6-11(18-1-3-19-4-2-18)17-10(16-9)5-8-7-12(8,14)15/h6,8H,1-5,7H2.
What are the key properties of 4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine?
4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine has a molecular weight of 289.71 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 144739899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).