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

C17H19FN8OS — CID 58367396

IUPACN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-morpholin-4-yl-6-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine
SMILESC[C@H](Nc1nc(Cc2cscn2)nc(N2CCOCC2)n1)c1ncc(F)cn1
InChIInChI=1S/C17H19FN8OS/c1-11(15-19-7-12(18)8-20-15)22-16-23-14(6-13-9-28-10-21-13)24-17(25-16)26-2-4-27-5-3-26/h7-11H,2-6H2,1H3,(H,22,23,24,25)/t11-/m0/s1
InChIKeyYXJFMEKGEUFSPX-NSHDSACASA-N
MW402.46 g/mol
LogP1.86
Rot. Bonds6

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

N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-morpholin-4-yl-6-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 58367396) has the molecular formula C17H19FN8OS and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-morpholin-4-yl-6-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-morpholin-4-yl-6-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID58367396
Molecular FormulaC17H19FN8OS
Molecular Weight402.46 g/mol
Exact Mass402.14
IUPAC NameN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-morpholin-4-yl-6-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine
SMILESC[C@H](Nc1nc(Cc2cscn2)nc(N2CCOCC2)n1)c1ncc(F)cn1
InChIInChI=1S/C17H19FN8OS/c1-11(15-19-7-12(18)8-20-15)22-16-23-14(6-13-9-28-10-21-13)24-17(25-16)26-2-4-27-5-3-26/h7-11H,2-6H2,1H3,(H,22,23,24,25)/t11-/m0/s1
InChIKeyYXJFMEKGEUFSPX-NSHDSACASA-N
XLogP1.86
TPSA101.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-morpholin-4-yl-6-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-morpholin-4-yl-6-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine (CID 58367396) is N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-morpholin-4-yl-6-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-morpholin-4-yl-6-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-morpholin-4-yl-6-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine is C[C@H](Nc1nc(Cc2cscn2)nc(N2CCOCC2)n1)c1ncc(F)cn1.
What is the InChIKey of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-morpholin-4-yl-6-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is YXJFMEKGEUFSPX-NSHDSACASA-N. The full InChI is InChI=1S/C17H19FN8OS/c1-11(15-19-7-12(18)8-20-15)22-16-23-14(6-13-9-28-10-21-13)24-17(25-16)26-2-4-27-5-3-26/h7-11H,2-6H2,1H3,(H,22,23,24,25)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-morpholin-4-yl-6-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine?
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-morpholin-4-yl-6-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 402.46 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-morpholin-4-yl-6-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 58367396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).