4-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]morpholine

C12H16F2N4O — CID 155534387

IUPAC4-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]morpholine
SMILESFC1(F)CCN(c2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C12H16F2N4O/c13-12(14)1-2-18(8-12)11-7-10(15-9-16-11)17-3-5-19-6-4-17/h7,9H,1-6,8H2
InChIKeyIRMOFGCNKJMOHZ-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.16
Rot. Bonds2

About 4-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]morpholine

4-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]morpholine (PubChem CID 155534387) has the molecular formula C12H16F2N4O and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]morpholine
PubChem CID155534387
Molecular FormulaC12H16F2N4O
Molecular Weight270.28 g/mol
Exact Mass270.13
IUPAC Name4-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]morpholine
SMILESFC1(F)CCN(c2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C12H16F2N4O/c13-12(14)1-2-18(8-12)11-7-10(15-9-16-11)17-3-5-19-6-4-17/h7,9H,1-6,8H2
InChIKeyIRMOFGCNKJMOHZ-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]morpholine (CID 155534387) is 4-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]morpholine is FC1(F)CCN(c2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of 4-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]morpholine?
The InChIKey is IRMOFGCNKJMOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O/c13-12(14)1-2-18(8-12)11-7-10(15-9-16-11)17-3-5-19-6-4-17/h7,9H,1-6,8H2.
What are the key properties of 4-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]morpholine?
4-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]morpholine has a molecular weight of 270.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 155534387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).