2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C13H17FN8O — CID 58367444

IUPAC2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESC[C@H](Nc1nc(N)nc(N2CCOCC2)n1)c1ncc(F)cn1
InChIInChI=1S/C13H17FN8O/c1-8(10-16-6-9(14)7-17-10)18-12-19-11(15)20-13(21-12)22-2-4-23-5-3-22/h6-8H,2-5H2,1H3,(H3,15,18,19,20,21)/t8-/m0/s1
InChIKeyOECYNSKOCZQGFN-QMMMGPOBSA-N
MW320.33 g/mol
LogP0.39
Rot. Bonds4

About 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 58367444) has the molecular formula C13H17FN8O and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID58367444
Molecular FormulaC13H17FN8O
Molecular Weight320.33 g/mol
Exact Mass320.15
IUPAC Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESC[C@H](Nc1nc(N)nc(N2CCOCC2)n1)c1ncc(F)cn1
InChIInChI=1S/C13H17FN8O/c1-8(10-16-6-9(14)7-17-10)18-12-19-11(15)20-13(21-12)22-2-4-23-5-3-22/h6-8H,2-5H2,1H3,(H3,15,18,19,20,21)/t8-/m0/s1
InChIKeyOECYNSKOCZQGFN-QMMMGPOBSA-N
XLogP0.39
TPSA114.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 58367444) is 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is C[C@H](Nc1nc(N)nc(N2CCOCC2)n1)c1ncc(F)cn1.
What is the InChIKey of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is OECYNSKOCZQGFN-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17FN8O/c1-8(10-16-6-9(14)7-17-10)18-12-19-11(15)20-13(21-12)22-2-4-23-5-3-22/h6-8H,2-5H2,1H3,(H3,15,18,19,20,21)/t8-/m0/s1.
What are the key properties of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 320.33 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58367444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).