4,4-difluoro-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide

C14H19F2N5O2 — CID 78081559

IUPAC4,4-difluoro-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cc(N2CCOCC2)ncn1)C1CC(F)(F)CN1
InChIInChI=1S/C14H19F2N5O2/c15-14(16)6-11(18-8-14)13(22)17-7-10-5-12(20-9-19-10)21-1-3-23-4-2-21/h5,9,11,18H,1-4,6-8H2,(H,17,22)
InChIKeyPAYBMZPBECHBPS-UHFFFAOYSA-N
MW327.34 g/mol
LogP-0.07
Rot. Bonds4

About 4,4-difluoro-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide

4,4-difluoro-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 78081559) has the molecular formula C14H19F2N5O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4,4-difluoro-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID78081559
Molecular FormulaC14H19F2N5O2
Molecular Weight327.34 g/mol
Exact Mass327.15
IUPAC Name4,4-difluoro-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cc(N2CCOCC2)ncn1)C1CC(F)(F)CN1
InChIInChI=1S/C14H19F2N5O2/c15-14(16)6-11(18-8-14)13(22)17-7-10-5-12(20-9-19-10)21-1-3-23-4-2-21/h5,9,11,18H,1-4,6-8H2,(H,17,22)
InChIKeyPAYBMZPBECHBPS-UHFFFAOYSA-N
XLogP-0.07
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4,4-difluoro-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide (CID 78081559) is 4,4-difluoro-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1cc(N2CCOCC2)ncn1)C1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoro-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is PAYBMZPBECHBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5O2/c15-14(16)6-11(18-8-14)13(22)17-7-10-5-12(20-9-19-10)21-1-3-23-4-2-21/h5,9,11,18H,1-4,6-8H2,(H,17,22).
What are the key properties of 4,4-difluoro-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide?
4,4-difluoro-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 327.34 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 78081559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).