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

C8H6ClFN6S — CID 79075268

IUPAC2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
SMILESNc1cc(N)nc(Sc2nc(Cl)ncc2F)n1
InChIInChI=1S/C8H6ClFN6S/c9-7-13-2-3(10)6(16-7)17-8-14-4(11)1-5(12)15-8/h1-2H,(H4,11,12,14,15)
InChIKeyCYGBQSOVMBFCBH-UHFFFAOYSA-N
MW272.70 g/mol
LogP1.37
Rot. Bonds2

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

2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine (PubChem CID 79075268) has the molecular formula C8H6ClFN6S and a molecular weight of 272.70 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
PubChem CID79075268
Molecular FormulaC8H6ClFN6S
Molecular Weight272.70 g/mol
Exact Mass272.00
IUPAC Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
SMILESNc1cc(N)nc(Sc2nc(Cl)ncc2F)n1
InChIInChI=1S/C8H6ClFN6S/c9-7-13-2-3(10)6(16-7)17-8-14-4(11)1-5(12)15-8/h1-2H,(H4,11,12,14,15)
InChIKeyCYGBQSOVMBFCBH-UHFFFAOYSA-N
XLogP1.37
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine (CID 79075268) is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine is Nc1cc(N)nc(Sc2nc(Cl)ncc2F)n1.
What is the InChIKey of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The InChIKey is CYGBQSOVMBFCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN6S/c9-7-13-2-3(10)6(16-7)17-8-14-4(11)1-5(12)15-8/h1-2H,(H4,11,12,14,15).
What are the key properties of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine has a molecular weight of 272.70 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 79075268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).