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

C14H14FN7S — CID 69190565

IUPAC2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine
SMILESCc1cnc(N(c2cncc(N)n2)[C@@H](C)c2ncc(F)cn2)s1
InChIInChI=1S/C14H14FN7S/c1-8-3-20-14(23-8)22(12-7-17-6-11(16)21-12)9(2)13-18-4-10(15)5-19-13/h3-7,9H,1-2H3,(H2,16,21)/t9-/m0/s1
InChIKeyUVZJMAWZRAJVBD-VIFPVBQESA-N
MW331.38 g/mol
LogP2.65
Rot. Bonds4

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

2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine (PubChem CID 69190565) 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]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine
PubChem CID69190565
Molecular FormulaC14H14FN7S
Molecular Weight331.38 g/mol
Exact Mass331.10
IUPAC Name2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine
SMILESCc1cnc(N(c2cncc(N)n2)[C@@H](C)c2ncc(F)cn2)s1
InChIInChI=1S/C14H14FN7S/c1-8-3-20-14(23-8)22(12-7-17-6-11(16)21-12)9(2)13-18-4-10(15)5-19-13/h3-7,9H,1-2H3,(H2,16,21)/t9-/m0/s1
InChIKeyUVZJMAWZRAJVBD-VIFPVBQESA-N
XLogP2.65
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
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]-2-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]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine (CID 69190565) is 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-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]-2-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]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine is Cc1cnc(N(c2cncc(N)n2)[C@@H](C)c2ncc(F)cn2)s1.
What is the InChIKey of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine?
The InChIKey is UVZJMAWZRAJVBD-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14FN7S/c1-8-3-20-14(23-8)22(12-7-17-6-11(16)21-12)9(2)13-18-4-10(15)5-19-13/h3-7,9H,1-2H3,(H2,16,21)/t9-/m0/s1.
What are the key properties of 2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine?
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine has a molecular weight of 331.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 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]-2-N-(5-methyl-1,3-thiazol-2-yl)pyrazine-2,6-diamine is sourced from PubChem (CID 69190565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).