2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine

C8H8FN7S — CID 80885325

IUPAC2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
SMILESNc1cc(N)nc(Sc2nc(N)ncc2F)n1
InChIInChI=1S/C8H8FN7S/c9-3-2-13-7(12)16-6(3)17-8-14-4(10)1-5(11)15-8/h1-2H,(H2,12,13,16)(H4,10,11,14,15)
InChIKeyJACUADXMQXOVIB-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.30
Rot. Bonds2

About 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine

2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine (PubChem CID 80885325) has the molecular formula C8H8FN7S and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
PubChem CID80885325
Molecular FormulaC8H8FN7S
Molecular Weight253.27 g/mol
Exact Mass253.05
IUPAC Name2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
SMILESNc1cc(N)nc(Sc2nc(N)ncc2F)n1
InChIInChI=1S/C8H8FN7S/c9-3-2-13-7(12)16-6(3)17-8-14-4(10)1-5(11)15-8/h1-2H,(H2,12,13,16)(H4,10,11,14,15)
InChIKeyJACUADXMQXOVIB-UHFFFAOYSA-N
XLogP0.30
TPSA129.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine (CID 80885325) is 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine is Nc1cc(N)nc(Sc2nc(N)ncc2F)n1.
What is the InChIKey of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The InChIKey is JACUADXMQXOVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN7S/c9-3-2-13-7(12)16-6(3)17-8-14-4(10)1-5(11)15-8/h1-2H,(H2,12,13,16)(H4,10,11,14,15).
What are the key properties of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine has a molecular weight of 253.27 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80885325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).