4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine

C11H14FN5S — CID 80888896

IUPAC4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2cc(C)nn2C)n1
InChIInChI=1S/C11H14FN5S/c1-4-13-11-14-6-8(12)10(15-11)18-9-5-7(2)16-17(9)3/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyQUPDERSFJPNNFC-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.24
Rot. Bonds4

About 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine

4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 80888896) has the molecular formula C11H14FN5S and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
PubChem CID80888896
Molecular FormulaC11H14FN5S
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2cc(C)nn2C)n1
InChIInChI=1S/C11H14FN5S/c1-4-13-11-14-6-8(12)10(15-11)18-9-5-7(2)16-17(9)3/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyQUPDERSFJPNNFC-UHFFFAOYSA-N
XLogP2.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine (CID 80888896) is 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine is CCNc1ncc(F)c(Sc2cc(C)nn2C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is QUPDERSFJPNNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5S/c1-4-13-11-14-6-8(12)10(15-11)18-9-5-7(2)16-17(9)3/h5-6H,4H2,1-3H3,(H,13,14,15).
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine?
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 267.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80888896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).