4-chloro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H15ClFN7O — CID 76735958

IUPAC4-chloro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(Cl)nc(N2CCOCC2)n1)c1ncc(F)cn1
InChIInChI=1S/C13H15ClFN7O/c1-8(10-16-6-9(15)7-17-10)18-12-19-11(14)20-13(21-12)22-2-4-23-5-3-22/h6-8H,2-5H2,1H3,(H,18,19,20,21)
InChIKeyCYPSMOXCHLYYKI-UHFFFAOYSA-N
MW339.76 g/mol
LogP1.46
Rot. Bonds4

About 4-chloro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-chloro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 76735958) has the molecular formula C13H15ClFN7O and a molecular weight of 339.76 g/mol. Its IUPAC name is 4-chloro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID76735958
Molecular FormulaC13H15ClFN7O
Molecular Weight339.76 g/mol
Exact Mass339.10
IUPAC Name4-chloro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(Cl)nc(N2CCOCC2)n1)c1ncc(F)cn1
InChIInChI=1S/C13H15ClFN7O/c1-8(10-16-6-9(15)7-17-10)18-12-19-11(14)20-13(21-12)22-2-4-23-5-3-22/h6-8H,2-5H2,1H3,(H,18,19,20,21)
InChIKeyCYPSMOXCHLYYKI-UHFFFAOYSA-N
XLogP1.46
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 76735958) is 4-chloro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is CC(Nc1nc(Cl)nc(N2CCOCC2)n1)c1ncc(F)cn1.
What is the InChIKey of 4-chloro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is CYPSMOXCHLYYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN7O/c1-8(10-16-6-9(15)7-17-10)18-12-19-11(14)20-13(21-12)22-2-4-23-5-3-22/h6-8H,2-5H2,1H3,(H,18,19,20,21).
What are the key properties of 4-chloro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-chloro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 339.76 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 76735958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).