4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethoxypyrimidine

C14H24N4O4S — CID 42154896

IUPAC4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethoxypyrimidine
SMILESCCCCS(=O)(=O)N1CCN(c2cc(OC)nc(OC)n2)CC1
InChIInChI=1S/C14H24N4O4S/c1-4-5-10-23(19,20)18-8-6-17(7-9-18)12-11-13(21-2)16-14(15-12)22-3/h11H,4-10H2,1-3H3
InChIKeyNDQUJFHWMYDKTN-UHFFFAOYSA-N
MW344.44 g/mol
LogP0.75
Rot. Bonds7

About 4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethoxypyrimidine

4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethoxypyrimidine (PubChem CID 42154896) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethoxypyrimidine.

Molecular Properties

Compound Name4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethoxypyrimidine
PubChem CID42154896
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethoxypyrimidine
SMILESCCCCS(=O)(=O)N1CCN(c2cc(OC)nc(OC)n2)CC1
InChIInChI=1S/C14H24N4O4S/c1-4-5-10-23(19,20)18-8-6-17(7-9-18)12-11-13(21-2)16-14(15-12)22-3/h11H,4-10H2,1-3H3
InChIKeyNDQUJFHWMYDKTN-UHFFFAOYSA-N
XLogP0.75
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethoxypyrimidine?
The IUPAC name of 4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethoxypyrimidine (CID 42154896) is 4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethoxypyrimidine.
What is the SMILES notation for 4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethoxypyrimidine?
The canonical SMILES for 4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethoxypyrimidine is CCCCS(=O)(=O)N1CCN(c2cc(OC)nc(OC)n2)CC1.
What is the InChIKey of 4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethoxypyrimidine?
The InChIKey is NDQUJFHWMYDKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-4-5-10-23(19,20)18-8-6-17(7-9-18)12-11-13(21-2)16-14(15-12)22-3/h11H,4-10H2,1-3H3.
What are the key properties of 4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethoxypyrimidine?
4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethoxypyrimidine has a molecular weight of 344.44 g/mol, XLogP of 0.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylsulfonylpiperazin-1-yl)-2,6-dimethoxypyrimidine is sourced from PubChem (CID 42154896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).