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

C8H7FN6S — CID 115417341

IUPAC2-(6-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
SMILESNc1cc(N)nc(Sc2cc(F)ncn2)n1
InChIInChI=1S/C8H7FN6S/c9-4-1-7(13-3-12-4)16-8-14-5(10)2-6(11)15-8/h1-3H,(H4,10,11,14,15)
InChIKeyLXUQDUDLBXEYNF-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.72
Rot. Bonds2

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

2-(6-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine (PubChem CID 115417341) has the molecular formula C8H7FN6S and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(6-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(6-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
PubChem CID115417341
Molecular FormulaC8H7FN6S
Molecular Weight238.25 g/mol
Exact Mass238.04
IUPAC Name2-(6-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
SMILESNc1cc(N)nc(Sc2cc(F)ncn2)n1
InChIInChI=1S/C8H7FN6S/c9-4-1-7(13-3-12-4)16-8-14-5(10)2-6(11)15-8/h1-3H,(H4,10,11,14,15)
InChIKeyLXUQDUDLBXEYNF-UHFFFAOYSA-N
XLogP0.72
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-6-methylsulfanylpyrimidine
CID 115417338
6-fluoropyrimidin-4-amine
CID 574613
2-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine
CID 83269733
4-fluoro-6-thiophen-2-ylsulfanylpyrimidine
CID 115417285
2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80885324
2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine
CID 61297881
4-fluoro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
CID 113305742
4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine
CID 115417343
5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
CID 114920118
2-[(3,6-dichloro-1,2,4-triazin-5-yl)sulfanyl]pyrimidine-4,6-diamine
CID 81036406
4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine
CID 115417324
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluoropyridine-4-carboxylic acid
CID 105382801

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-(6-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine (CID 115417341) is 2-(6-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-(6-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-(6-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine is Nc1cc(N)nc(Sc2cc(F)ncn2)n1.
What is the InChIKey of 2-(6-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The InChIKey is LXUQDUDLBXEYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN6S/c9-4-1-7(13-3-12-4)16-8-14-5(10)2-6(11)15-8/h1-3H,(H4,10,11,14,15).
What are the key properties of 2-(6-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
2-(6-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine has a molecular weight of 238.25 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 115417341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).