N-(4-fluoropyrrolidin-3-yl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine

C13H20FN5O — CID 67443063

IUPACN-(4-fluoropyrrolidin-3-yl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
SMILESCc1cc(N2CCOCC2)nc(NC2CNCC2F)n1
InChIInChI=1S/C13H20FN5O/c1-9-6-12(19-2-4-20-5-3-19)18-13(16-9)17-11-8-15-7-10(11)14/h6,10-11,15H,2-5,7-8H2,1H3,(H,16,17,18)
InChIKeyJESNZMPSGNOEAF-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.34
Rot. Bonds3

About N-(4-fluoropyrrolidin-3-yl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine

N-(4-fluoropyrrolidin-3-yl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 67443063) has the molecular formula C13H20FN5O and a molecular weight of 281.33 g/mol. Its IUPAC name is N-(4-fluoropyrrolidin-3-yl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-fluoropyrrolidin-3-yl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID67443063
Molecular FormulaC13H20FN5O
Molecular Weight281.33 g/mol
Exact Mass281.17
IUPAC NameN-(4-fluoropyrrolidin-3-yl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
SMILESCc1cc(N2CCOCC2)nc(NC2CNCC2F)n1
InChIInChI=1S/C13H20FN5O/c1-9-6-12(19-2-4-20-5-3-19)18-13(16-9)17-11-8-15-7-10(11)14/h6,10-11,15H,2-5,7-8H2,1H3,(H,16,17,18)
InChIKeyJESNZMPSGNOEAF-UHFFFAOYSA-N
XLogP0.34
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoropyrrolidin-3-yl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-(4-fluoropyrrolidin-3-yl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine (CID 67443063) is N-(4-fluoropyrrolidin-3-yl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-(4-fluoropyrrolidin-3-yl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-(4-fluoropyrrolidin-3-yl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine is Cc1cc(N2CCOCC2)nc(NC2CNCC2F)n1.
What is the InChIKey of N-(4-fluoropyrrolidin-3-yl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is JESNZMPSGNOEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5O/c1-9-6-12(19-2-4-20-5-3-19)18-13(16-9)17-11-8-15-7-10(11)14/h6,10-11,15H,2-5,7-8H2,1H3,(H,16,17,18).
What are the key properties of N-(4-fluoropyrrolidin-3-yl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine?
N-(4-fluoropyrrolidin-3-yl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 281.33 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoropyrrolidin-3-yl)-4-methyl-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 67443063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).