4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine

C12H14FN5S — CID 80892436

IUPAC4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2nc(C)cc(C)n2)n1
InChIInChI=1S/C12H14FN5S/c1-4-14-11-15-6-9(13)10(18-11)19-12-16-7(2)5-8(3)17-12/h5-6H,4H2,1-3H3,(H,14,15,18)
InChIKeyYNINBJVODYWUKE-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.61
Rot. Bonds4

About 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine

4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 80892436) has the molecular formula C12H14FN5S and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
PubChem CID80892436
Molecular FormulaC12H14FN5S
Molecular Weight279.34 g/mol
Exact Mass279.10
IUPAC Name4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2nc(C)cc(C)n2)n1
InChIInChI=1S/C12H14FN5S/c1-4-14-11-15-6-9(13)10(18-11)19-12-16-7(2)5-8(3)17-12/h5-6H,4H2,1-3H3,(H,14,15,18)
InChIKeyYNINBJVODYWUKE-UHFFFAOYSA-N
XLogP2.61
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine (CID 80892436) is 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine is CCNc1ncc(F)c(Sc2nc(C)cc(C)n2)n1.
What is the InChIKey of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is YNINBJVODYWUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5S/c1-4-14-11-15-6-9(13)10(18-11)19-12-16-7(2)5-8(3)17-12/h5-6H,4H2,1-3H3,(H,14,15,18).
What are the key properties of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine?
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 279.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80892436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).