4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine

C11H15FN4O2S — CID 175648838

IUPAC4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine
SMILESO=S(=O)(C1CC1)N1CCN(c2ncncc2F)CC1
InChIInChI=1S/C11H15FN4O2S/c12-10-7-13-8-14-11(10)15-3-5-16(6-4-15)19(17,18)9-1-2-9/h7-9H,1-6H2
InChIKeyNNHBHPUPNRVVBW-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.23
Rot. Bonds3

About 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine

4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine (PubChem CID 175648838) has the molecular formula C11H15FN4O2S and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine
PubChem CID175648838
Molecular FormulaC11H15FN4O2S
Molecular Weight286.33 g/mol
Exact Mass286.09
IUPAC Name4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine
SMILESO=S(=O)(C1CC1)N1CCN(c2ncncc2F)CC1
InChIInChI=1S/C11H15FN4O2S/c12-10-7-13-8-14-11(10)15-3-5-16(6-4-15)19(17,18)9-1-2-9/h7-9H,1-6H2
InChIKeyNNHBHPUPNRVVBW-UHFFFAOYSA-N
XLogP0.23
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine?
The IUPAC name of 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine (CID 175648838) is 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine.
What is the SMILES notation for 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine?
The canonical SMILES for 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine is O=S(=O)(C1CC1)N1CCN(c2ncncc2F)CC1.
What is the InChIKey of 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine?
The InChIKey is NNHBHPUPNRVVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2S/c12-10-7-13-8-14-11(10)15-3-5-16(6-4-15)19(17,18)9-1-2-9/h7-9H,1-6H2.
What are the key properties of 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine?
4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine has a molecular weight of 286.33 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine is sourced from PubChem (CID 175648838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).