2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine

C10H12FN7S — CID 80886518

IUPAC2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
SMILESCCNc1ncc(F)c(Sc2nc(N)cc(N)n2)n1
InChIInChI=1S/C10H12FN7S/c1-2-14-9-15-4-5(11)8(18-9)19-10-16-6(12)3-7(13)17-10/h3-4H,2H2,1H3,(H,14,15,18)(H4,12,13,16,17)
InChIKeyZQLQNCCITJCUQQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.15
Rot. Bonds4

About 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine

2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine (PubChem CID 80886518) has the molecular formula C10H12FN7S and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
PubChem CID80886518
Molecular FormulaC10H12FN7S
Molecular Weight281.32 g/mol
Exact Mass281.09
IUPAC Name2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
SMILESCCNc1ncc(F)c(Sc2nc(N)cc(N)n2)n1
InChIInChI=1S/C10H12FN7S/c1-2-14-9-15-4-5(11)8(18-9)19-10-16-6(12)3-7(13)17-10/h3-4H,2H2,1H3,(H,14,15,18)(H4,12,13,16,17)
InChIKeyZQLQNCCITJCUQQ-UHFFFAOYSA-N
XLogP1.15
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine (CID 80886518) is 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine is CCNc1ncc(F)c(Sc2nc(N)cc(N)n2)n1.
What is the InChIKey of 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The InChIKey is ZQLQNCCITJCUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN7S/c1-2-14-9-15-4-5(11)8(18-9)19-10-16-6(12)3-7(13)17-10/h3-4H,2H2,1H3,(H,14,15,18)(H4,12,13,16,17).
What are the key properties of 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine has a molecular weight of 281.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80886518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).