2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine

C14H14FN7S — CID 25171662

IUPAC2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine
SMILESCc1cnc(Nc2cncc(N[C@@H](C)c3ncc(F)cn3)n2)s1
InChIInChI=1S/C14H14FN7S/c1-8-3-19-14(23-8)22-12-7-16-6-11(21-12)20-9(2)13-17-4-10(15)5-18-13/h3-7,9H,1-2H3,(H2,19,20,21,22)/t9-/m0/s1
InChIKeyLPLPZSMLCGODQL-VIFPVBQESA-N
MW331.38 g/mol
LogP3.09
Rot. Bonds5

About 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine

2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine (PubChem CID 25171662) has the molecular formula C14H14FN7S and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine
PubChem CID25171662
Molecular FormulaC14H14FN7S
Molecular Weight331.38 g/mol
Exact Mass331.10
IUPAC Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine
SMILESCc1cnc(Nc2cncc(N[C@@H](C)c3ncc(F)cn3)n2)s1
InChIInChI=1S/C14H14FN7S/c1-8-3-19-14(23-8)22-12-7-16-6-11(21-12)20-9(2)13-17-4-10(15)5-18-13/h3-7,9H,1-2H3,(H2,19,20,21,22)/t9-/m0/s1
InChIKeyLPLPZSMLCGODQL-VIFPVBQESA-N
XLogP3.09
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine (CID 25171662) is 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine is Cc1cnc(Nc2cncc(N[C@@H](C)c3ncc(F)cn3)n2)s1.
What is the InChIKey of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine?
The InChIKey is LPLPZSMLCGODQL-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14FN7S/c1-8-3-19-14(23-8)22-12-7-16-6-11(21-12)20-9(2)13-17-4-10(15)5-18-13/h3-7,9H,1-2H3,(H2,19,20,21,22)/t9-/m0/s1.
What are the key properties of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine?
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine has a molecular weight of 331.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine is sourced from PubChem (CID 25171662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).